Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(CC(=O)O)[C@H]1CC[C@@H](Cn2cncn2)C1- InChIKey
WHJXNVWAWHJRTA-NEPJUHHUSA-N- Molecular formula
- C15H24N4O4
- Average molar mass
- 324.38 g/mol
Names & identifiers
- Preferred name
- [(3R,1S)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentyl-N-BOC-amino]acetic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl-[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]acetic acid
Names & synonyms
SCHEMBL1155163WHJXNVWAWHJRTA-NEPJUHHUSA-N[(3R,1S)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentyl-N-BOC-amino]acetic acid
Database identifiers
- PubChem CID
- 66924331
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Related reactions
1 records
Compound notes
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