Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2C2CC2)CC1- InChIKey
NXESTSNIXVMNGW-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- N-Boc-4-(4-carboxy-2-cyclopropyl-2H-pyrazol-3-yl)-piperidine
- IUPAC
- 1-cyclopropyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazole-4-carboxylic acid
Names & synonyms
SCHEMBL4039601NXESTSNIXVMNGW-UHFFFAOYSA-NN-Boc-4-(4-carboxy-2-cyclopropyl-2H-pyrazol-3-yl)-piperidine
Database identifiers
- PubChem CID
- 21097375
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 493
Related reactions
3 records
Compound notes
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