N-(Phenoxycarbonyl)-L-valine methyl ester
methyl (2S)-3-methyl-2-(phenoxycarbonylamino)butanoate
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.28 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 153441-77-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)OC1=CC=CC=C1 |
| InChIKey | HVZNBHBPOHUKAF-NSHDSACASA-N |
📖 Product Overview
N-(Phenoxycarbonyl)-L-valine methyl ester (CAS: 153441-77-1) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.28 g/mol. Its IUPAC systematic name is methyl (2S)-3-methyl-2-(phenoxycarbonylamino)butanoate.
HVZNBHBPOHUKAF-NSHDSACASA-N.
SMILES: CC(C)C(C(=O)OC)NC(=O)OC1=CC=CC=C1.
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