histidine methyl ester, (D)-
Basic information
- Standard SMILES
COC(=O)[C@H](N)Cc1cnc[nH]1- InChIKey
BXRMEWOQUXOLDH-ZCFIWIBFSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- histidine methyl ester, (D)-
- IUPAC
- methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate
Names & synonyms
17720-12-6RefChem:922992histidine methyl ester, (D)-D-histidine methyl estermethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate(R)-Methyl 2-amino-3-(1H-imidazol-4-yl)propanoateR-Histidine Methyl EsterMETHYL (2R)-2-AMINO-3-(1H-IMIDAZOL-4-YL)PROPANOATEH-D-His-OMe 2 HClSCHEMBL3846863SCHEMBL3846866CHEMBL1229087
Show more names
BXRMEWOQUXOLDH-ZCFIWIBFSA-NDTXSID601364029EBC-44400EN300-716369(R)-Methyl2-amino-3-(1H-imidazol-4-yl)propanoateMethyl (2R)a2aaminoa3a(1Haimidazola5ayl)propanoate
Database identifiers
- PubChem CID
- 688359
- DTXSID
DTXSID601364029- ChEMBL
CHEMBL1229087- Nikkaji
- J375.874E
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
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Related reactions
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Compound notes
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