3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
TL;DR: 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CAS 91691-00-8) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Also Known As: 3-[(DIMETHYLAMINO)CARBONYL]-1,2,2-TRIMETHYLCYCLOPENTANECARBOXYLIC ACID, 3-(dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid, CHEMBRDG-BB 9071018, Y-0672, 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 1.6017 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 322.22556 |
Chemical Identifiers
| CAS Number | 91691-00-8 |
|---|---|
| SMILES | CC1(C(CCC1(C)C(=O)O)C(=O)N(C)C)C |
Product Overview
3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid (CAS 91691-00-8), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: 3-(dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid.
Chemical Property Profile of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
Property Insights of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
The XLogP value of 1.6017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The CAS number of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is 91691-00-8.
What is the molecular formula of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The molecular formula of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is C12H21NO3.
What is the molecular weight of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The molecular weight of 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid is 227.15 g/mol.
Where can I buy 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
You can request a quote for 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.