1H-Imidazole-4-acetic acid, 2-amino-4,5-dihydro-
Basic information
- CAS
69098-41-5- Standard SMILES
NC1=NCC(CC(=O)O)N1- InChIKey
FJESSDHMDUSARB-UHFFFAOYSA-N- Molecular formula
- C5H9N3O2
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.06947654
Names & identifiers
- Preferred name
- 1H-Imidazole-4-acetic acid, 2-amino-4,5-dihydro-
- IUPAC
- 2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)acetic acid
Names & synonyms
CHEMBL452609869098-41-51H-Imidazole-4-acetic acid, 2-amino-4,5-dihydro-DTXSID00988819BDBM505251882-amino-2-imidazolin4-yl acetic acid(2-Iminoimidazolidin-4-yl)acetic acid
Database identifiers
- CAS
69098-41-5- PubChem CID
- 155246
- DTXSID
DTXSID00988819- ChEMBL
CHEMBL4526098- Nikkaji
- J2.363.406F
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
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Related reactions
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Compound notes
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