![3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid structure](/static/products/6105/61058-48-8.webp)
3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
TL;DR: 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid (CAS 61058-48-8) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
Also Known As: Z-beta-Ala-Val, Z-, A-Ala-Val, Z-, A-ALA-VAL-OH
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 61058-48-8 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)CCNC(=O)OCC1=CC=CC=C1 |
| InChIKey | XFMVOOGGOCFBNM-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid (CAS 61058-48-8), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 3-methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid.
Chemical Property Profile of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
Property Insights of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid has 3 hydrogen bond donor(s) and 5 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-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid?
The CAS number of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid is 61058-48-8.
What is the molecular formula of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid?
The molecular formula of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid is C16H22N2O5.
What is the molecular weight of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid?
The molecular weight of 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid is 322.15 g/mol.
Where can I buy 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid?
You can request a quote for 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.