TL;DR: (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid (CAS 1241676-14-1) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(prop-2-enoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
Also Known As: (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid, N-{[(Prop-2-en-1-yl)oxy]carbonyl}-3-pyridin-3-yl-L-alanine, (2S)-2-(prop-2-enoxycarbonylamino)-3-pyridin-3-yl-propanoic Acid, (2S)-2-(prop-2-enoxycarbonylamino)-3-pyridin-3-ylpropanoic acid, (I+/-S)-I+/--[[(2-Propen-1-yloxy)carbonyl]amino]-3-pyridinepropanoic acid
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
| SMILES | C=CCOC(=O)N[C@@H](CC1=CN=CC=C1)C(=O)O |
| InChIKey | GBEMVEHUJSCURF-JTQLQIEISA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid is 1241676-14-1.
The molecular formula of (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid is C12H14N2O4.
The molecular weight of (2S)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid is 250.09535 g/mol.
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