TL;DR: (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid (CAS 107476-00-6) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid
Also Known As: 3,3 -o-Phenylenedi(L-alanine), 3,3 -1,2-Phenylenedi(L-alanine), J1.502.188H, 1,2-Benzenedipropanoic acid,alpha,alpha'-diamino-,[S-(R*,R*)]- (9CI), 2-amino-3-[2-(2-amino-2-carboxy-ethyl)phenyl]propanoic Acid
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.11101 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.11101 Da |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
| SMILES | C1=CC=C(C(=C1)C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N |
| InChIKey | PKBDZWBCXCQRQC-UWVGGRQHSA-N |
The XLogP value of -3.4 indicates that (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid. Following Lipinski's Rule of Five, (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid has 2 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 (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid is 107476-00-6.
The molecular formula of (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid is C12H16N2O4.
The molecular weight of (2S)-2-amino-3-[2-[(2S)-2-amino-2-carboxyethyl]phenyl]propanoic acid is 252.11101 g/mol.
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