(1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
TL;DR: (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester (CAS 61865-49-4) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate
Also Known As: methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate, (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester, NCI60_007458, methyl-cis-4-acetamidocyclopent-2-ene carboxylate, 2-Cyclopentene-1-carboxylic acid, 4-(acetylamino)-, methyl ester, cis-
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 61865-49-4 |
|---|---|
| SMILES | CC(=O)N[C@@H]1C[C@@H](C=C1)C(=O)OC |
| InChIKey | NEJBWENICROWTO-SFYZADRCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester (CAS 61865-49-4), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate.
Chemical Property Profile of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
Property Insights of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester. With a topological polar surface area (TPSA) of 55.4 Ų, (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester 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 (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester?
The CAS number of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester is 61865-49-4.
What is the molecular formula of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester?
The molecular formula of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester is C9H13NO3.
What is the molecular weight of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester?
The molecular weight of (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester is 183.09 g/mol.
Where can I buy (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester?
You can request a quote for (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for (1R,4S)-rel-4-(Acetylamino)-2-cyclopentene-1-carboxylic Acid Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.