![(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid structure](/static/products/117/1173672-95-1.webp)
(S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid
TL;DR: (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid (CAS 1173672-95-1) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)propanoic acid
Also Known As: 2-(benzo[1,3]dioxol-5-ylcarbamoylamino)propanoic Acid, (2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)propanoic acid, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid
Technical Specifications
| Molecular Formula | C11H12N2O5 |
| Molecular Weight | 252.07462 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 Da |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2 |
| InChIKey | PZUFXROEWGGYMZ-LURJTMIESA-N |
Chemical Property Profile of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid
Property Insights of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic 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
What is the CAS number of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid?
The CAS number of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid is 1173672-95-1.
What is the molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid?
The molecular formula of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid is C11H12N2O5.
What is the molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid?
The molecular weight of (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid is 252.07462 g/mol.
Where can I buy (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid?
You can request a quote for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-(3-(benzo[d][1,3]dioxol-5-yl)ureido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.