![2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid structure](/static/products/5817/58171-88-3.webp)
2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid
TL;DR: 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid (CAS 58171-88-3) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(phenylmethoxycarbonylamino)propanoylamino]acetic acid
Also Known As: Z-beta-Ala-Gly-OH, Z-?-Ala-Gly-OH, n-cbz-beta-alanylglycine, Z-B-ALA-GLY-OH, 2,2,2-trifluoro-ethyl-N-ethylamine
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 58171-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)NCC(=O)O |
| InChIKey | ILRSNXOKMYEWSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid (CAS 58171-88-3), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 2-[3-(phenylmethoxycarbonylamino)propanoylamino]acetic acid.
Chemical Property Profile of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid
Property Insights of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid. Following Lipinski's Rule of Five, 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic 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 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid?
The CAS number of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid is 58171-88-3.
What is the molecular formula of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid?
The molecular formula of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid is C13H16N2O5.
What is the molecular weight of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid?
The molecular weight of 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid is 280.11 g/mol.
Where can I buy 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid?
You can request a quote for 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Phenylmethoxycarbonylamino)propanoylamino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.