Basic information
- CAS
64693-51-2- Standard SMILES
O=C(O)C1CCCCN1[N+](=O)[O-]- InChIKey
NVNPOFYSSSAIFL-UHFFFAOYSA-N- Molecular formula
- C6H10N2O4
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.0640568
Names & identifiers
- Preferred name
- 2-Piperidinecarboxylic acid, 1-nitro-, DL-
- IUPAC
- 1-nitropiperidine-2-carboxylic acid
Names & synonyms
2-Piperidinecarboxylic acid, 1-nitro-, DL-RefChem:10642041-Nitro-DL-pipecolic acid64693-51-2BRN 3545816NSC1139701-Nitropipecolic acid, dl-CHEMBL32484932-Piperidinecarboxylic acid, DL-NSC 113970NSC-1139702-Piperidinecarboxylic acid, (.+-.)-
Database identifiers
- CAS
64693-51-2- PubChem CID
- 98368
- ChEMBL
CHEMBL3248493
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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