TL;DR: Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- (CAS 103059-95-6) is a chemical compound with molecular formula C13H21N3O6 and molecular weight 315.14304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid
Also Known As: CLAVAMYCIN D, Antibiotic CA 146B, Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl-, 2-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-3-yl)-3-(l-valylamino)propanoic acid, 3-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-2-hydroxy-3-(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)propanoic acid
| Molecular Formula | C13H21N3O6 |
| Molecular Weight | 315.14304 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.14304 Da |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
| SMILES | CC(C)[C@@H](C(=O)NC(C1CN2C(O1)CC2=O)C(C(=O)O)O)N |
| InChIKey | LAYRWBLEHAAUDH-IJBOIRIQSA-N |
The XLogP value of -4.2 indicates that Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- is 103059-95-6.
The molecular formula of Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- is C13H21N3O6.
The molecular weight of Serine, 3-(7-oxo-4-oxa-1-azabicyclo(3.2.0)hept-3-yl)-N-L-valyl- is 315.14304 g/mol.
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