methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
Basic information
- CAS
107089-37-2- Standard SMILES
COC(=O)[C@H](Cc1ncn(C)c1[N+](=O)[O-])NC(C)=O- InChIKey
NAAFMFAJWVABNF-QMMMGPOBSA-N- Molecular formula
- C10H14N4O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.09641956
Names & identifiers
- Preferred name
- methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
- IUPAC
- methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
Names & synonyms
107089-37-2AC1LCTAGDTXSID30348402Methyl N-acetyl-1-methyl-5-nitro-L-histidinate
Database identifiers
- CAS
107089-37-2- PubChem CID
- 636992
- DTXSID
DTXSID30348402
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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