![(2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate structure](/static/products/131/131980-30-8.webp)
(2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
TL;DR: (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CAS 131980-30-8) is a chemical compound with molecular formula C15H17N2O4- and molecular weight 289.11884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: Boc-L-3-Cyanophenylalanine, (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Technical Specifications
| Molecular Formula | C15H17N2O4- |
| Molecular Weight | 289.11884 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.11884 Da |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)C#N)C(=O)[O-] |
| InChIKey | FDQDHMZKOPOWFE-LBPRGKRZSA-M |
Chemical Property Profile of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Property Insights of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate. Following Lipinski's Rule of Five, (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has 1 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 (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The CAS number of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 131980-30-8.
What is the molecular formula of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular formula of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C15H17N2O4-.
What is the molecular weight of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The molecular weight of (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is 289.11884 g/mol.
Where can I buy (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
You can request a quote for (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
Yes, CoreyChem provides custom synthesis services for (2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.