Butyrylamino-acetic acid methyl ester
TL;DR: Butyrylamino-acetic acid methyl ester (CAS 31295-07-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(butanoylamino)acetate
Also Known As: methyl 2-butanamidoacetate, Methyl 2-(butanoylamino)acetate, n-Butyrylglycine, methyl ester, Butyrylamino-acetic acid methyl ester, 2-(Butyrylamino)acetic acid methyl ester
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 0.0757 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 144.62111 |
Chemical Identifiers
| CAS Number | 31295-07-5 |
|---|---|
| SMILES | CCCC(=O)NCC(=O)OC |
Product Overview
Butyrylamino-acetic acid methyl ester (CAS 31295-07-5), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: methyl 2-(butanoylamino)acetate.
Chemical Property Profile of Butyrylamino-acetic acid methyl ester
Property Insights of Butyrylamino-acetic acid methyl ester
The XLogP value of 0.0757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrylamino-acetic acid methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Butyrylamino-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrylamino-acetic 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 Butyrylamino-acetic acid methyl ester?
The CAS number of Butyrylamino-acetic acid methyl ester is 31295-07-5.
What is the molecular formula of Butyrylamino-acetic acid methyl ester?
The molecular formula of Butyrylamino-acetic acid methyl ester is C7H13NO3.
What is the molecular weight of Butyrylamino-acetic acid methyl ester?
The molecular weight of Butyrylamino-acetic acid methyl ester is 159.09 g/mol.
Where can I buy Butyrylamino-acetic acid methyl ester?
You can request a quote for Butyrylamino-acetic 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 Butyrylamino-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyrylamino-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.