TL;DR: rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid (CAS 1608863-55-3) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid
Also Known As: (THIOPHENE-2-CARBONYL)-D-TRYPTOPHAN, rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid, (2S)-3-(1H-indol-3-yl)-2-(thiophen-2-ylformamido)propanoic acid, (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoic acid, rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoic acid
| Molecular Formula | C16H14N2O3S |
| Molecular Weight | 314.0725 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0725 Da |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NC(=O)C3=CC=CS3 |
| InChIKey | VNGXKEANYZLWEY-CYBMUJFWSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid. Following Lipinski's Rule of Five, rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid is 1608863-55-3.
The molecular formula of rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid is C16H14N2O3S.
The molecular weight of rel-(2R)-3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoicacid is 314.0725 g/mol.
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