methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoate
Basic information
- CAS
39037-21-3- Standard SMILES
COC(=O)C(Cc1cnc(N)[nH]1)NC(C)=O- InChIKey
UGURHYRUFDUHMO-UHFFFAOYSA-N- Molecular formula
- C9H14N4O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.10659032
Names & identifiers
- Preferred name
- methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoate
- IUPAC
- methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoate
Names & synonyms
methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoateDTXSID5031082339037-21-3RefChem:353990DTXCID70261949NSC232066UGURHYRUFDUHMO-UHFFFAOYSA-NMethyl N-acetyl-2-aminohistidinateNSC-232066Histidine, N-acetyl-2-amino-, methyl esterHistidine, N-acetyl-2-amino-, methyl(ester)Methyl 2-(acetylamino)-3-(2-amino-1H-imidazol-5-yl)propanoate #
Database identifiers
- CAS
39037-21-3- PubChem CID
- 314534
- DTXSID
DTXSID50310823
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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