(1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid
TL;DR: (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid (CAS 220497-94-9) is a chemical compound with molecular formula C14H23NO6 and molecular weight 301.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,6R,6aS)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid
Also Known As: (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid, (1S,4S,2R,5R)-4-[(tert-butoxy)carbonylamino]-7,7-dimethyl-6,8-dioxabicyclo[3.3 .0]octane-2-carboxylic acid, (3aR,4S,6R,6aS)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid, (3AS,4R,6S,6aR)-6-((tert-butoxycarbonyl)amino)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
| Molecular Formula | C14H23NO6 |
|---|---|
| Molecular Weight | 301.15 g/mol |
| LogP | 1.5043 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.15253 |
| Heavy Atoms | 21 |
| Complexity | 441.2354 |
Chemical Identifiers
| CAS Number | 220497-94-9 |
|---|---|
| SMILES | CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)NC(=O)OC(C)(C)C)C(=O)O)C |
Product Overview
(1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid (CAS 220497-94-9), with molecular formula C14H23NO6 and molecular weight 301.15 g/mol. IUPAC: (3aR,4S,6R,6aS)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carboxylic acid.
Chemical Property Profile of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid
Property Insights of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid
The XLogP value of 1.5043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid. Following Lipinski's Rule of Five, (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid?
The CAS number of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid is 220497-94-9.
What is the molecular formula of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid?
The molecular formula of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid is C14H23NO6.
What is the molecular weight of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid?
The molecular weight of (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid is 301.15 g/mol.
Where can I buy (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid?
You can request a quote for (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,3S,4R,6S)-N-Boc-6-amino-2,2-dimethyl-tetrahydrocyclopenta[1.3]dioxole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.