Basic information
- Standard SMILES
COC(=O)c1cnnn1C(C)C(=O)O- InChIKey
XQSRVVBMKOECGJ-UHFFFAOYSA-N- Molecular formula
- C7H9N3O4
- Average molar mass
- 199.16 g/mol
Names & identifiers
- Preferred name
- 2-[5-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]propanoic acid
- IUPAC
- 2-(5-methoxycarbonyltriazol-1-yl)propanoic acid
Names & synonyms
1190392-89-22-[5-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]propanoic acidSCHEMBL1155426XQSRVVBMKOECGJ-UHFFFAOYSA-NDA-14765
Database identifiers
- PubChem CID
- 57907451
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Related reactions
5 records
Compound notes
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