1,1-Cyclohexanediacetic acid monoamide
TL;DR: 1,1-Cyclohexanediacetic acid monoamide (CAS 887589-52-8) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid
Also Known As: 1,1-Cyclohexanediacetic acid monoamide, 2-(1-(2-amino-2-oxoethyl)cyclohexyl)acetic acid, 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid, Gabapentin Impurity 11, Gabapentin Impurity 14
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 887589-52-8 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)N)CC(=O)O |
| InChIKey | QJGSJXLCJRXTRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Cyclohexanediacetic acid monoamide (CAS 887589-52-8), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: 2-[1-(2-amino-2-oxoethyl)cyclohexyl]acetic acid.
Chemical Property Profile of 1,1-Cyclohexanediacetic acid monoamide
Property Insights of 1,1-Cyclohexanediacetic acid monoamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Cyclohexanediacetic acid monoamide. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Cyclohexanediacetic acid monoamide. Following Lipinski's Rule of Five, 1,1-Cyclohexanediacetic acid monoamide has 2 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 1,1-Cyclohexanediacetic acid monoamide?
The CAS number of 1,1-Cyclohexanediacetic acid monoamide is 887589-52-8.
What is the molecular formula of 1,1-Cyclohexanediacetic acid monoamide?
The molecular formula of 1,1-Cyclohexanediacetic acid monoamide is C10H17NO3.
What is the molecular weight of 1,1-Cyclohexanediacetic acid monoamide?
The molecular weight of 1,1-Cyclohexanediacetic acid monoamide is 199.12 g/mol.
Where can I buy 1,1-Cyclohexanediacetic acid monoamide?
You can request a quote for 1,1-Cyclohexanediacetic acid monoamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Cyclohexanediacetic acid monoamide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Cyclohexanediacetic acid monoamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.