(S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
TL;DR: (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CAS 958748-17-9) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrole-2-carboxylic acid
Also Known As: (2S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrole-2-carboxylic Acid, (S)-1-(TERT-BUTOXYCARBONYL)-4-METHYL-2,3-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID
| Molecular Formula | C11H17NO4 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | 1.9842 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.11575 |
| Heavy Atoms | 16 |
| Complexity | 340.38394 |
Chemical Identifiers
| CAS Number | 958748-17-9 |
|---|---|
| SMILES | CC1=CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C |
Product Overview
(S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid (CAS 958748-17-9), with molecular formula C11H17NO4 and molecular weight 227.12 g/mol. IUPAC: (2S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydropyrrole-2-carboxylic acid.
Chemical Property Profile of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
Property Insights of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.9842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The CAS number of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is 958748-17-9.
What is the molecular formula of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular formula of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is C11H17NO4.
What is the molecular weight of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
The molecular weight of (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid is 227.12 g/mol.
Where can I buy (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
You can request a quote for (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-(Tert-butoxycarbonyl)-4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.