TL;DR: (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid (CAS 1460246-34-7) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-(4-nitroanilino)-5-oxopentanoic acid
Also Known As: H-Glu-Pna, DL-H-Glu-pNA, L-Glutamic acid a-4-nitroanilide, 4-amino-5-(4-nitroanilino)-5-oxopentanoic acid, 4-amino-5-(4-nitroanilino)-5-oxo-pentanoic acid
| Molecular Formula | C11H13N3O5 |
| Molecular Weight | 267.0855 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.0855 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| SMILES | C1=CC(=CC=C1NC(=O)C(CCC(=O)O)N)[N+](=O)[O-] |
| InChIKey | JXQXNQKTUGNZLD-UHFFFAOYSA-N |
The XLogP value of -2.4 indicates that (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid. Following Lipinski's Rule of Five, (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is 1460246-34-7.
The molecular formula of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is C11H13N3O5.
The molecular weight of (4S)-4-amino-4-[N-(4-nitrophenyl)carbamoyl]butanoic acid is 267.0855 g/mol.
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