TL;DR: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate (CAS 15373-56-5) is a chemical compound with molecular formula C17H25N3O4 and molecular weight 335.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Also Known As: (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
| Molecular Formula | C17H25N3O4 |
| Molecular Weight | 335.1845 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.1845 Da |
| Heavy Atoms | 24 |
| Complexity | 428.0 |
| SMILES | CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH3+] |
| InChIKey | JPVGHHQGKPQYIL-KBPBESRZSA-N |
The XLogP value of -1.2 indicates that (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate. Following Lipinski's Rule of Five, (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate 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 (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate is 15373-56-5.
The molecular formula of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate is C17H25N3O4.
The molecular weight of (2S)-2-[[(2S)-2-[(2-azaniumylacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoate is 335.1845 g/mol.
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