4-[[(4-Carboxycyclohexyl)-nitrosocarbamoyl]amino]cyclohexane-1-carboxylic acid
Basic information
- CAS
80413-79-2- Standard SMILES
O=NN(C(=O)NC1CCC(C(=O)O)CC1)C1CCC(C(=O)O)CC1- InChIKey
CIRPYGAREFBXOA-UHFFFAOYSA-N- Molecular formula
- C15H23N3O6
- Average molar mass
- 341.36 g/mol
- Monoisotopic mass
- 341.15868546
Names & identifiers
- Preferred name
- 4-[[(4-Carboxycyclohexyl)-nitrosocarbamoyl]amino]cyclohexane-1-carboxylic acid
- IUPAC
- 4-[[(4-carboxycyclohexyl)-nitrosocarbamoyl]amino]cyclohexane-1-carboxylic acid
Names & synonyms
MLS00338946380413-79-2NSC305716CHEMBL2358943DTXSID30316686NSC-305716SMR0020491154-{[(4-Carboxycyclohexyl)carbamoyl](nitroso)amino}cyclohexane-1-carboxylic acid
Database identifiers
- CAS
80413-79-2- PubChem CID
- 328099
- DTXSID
DTXSID30316686- ChEMBL
CHEMBL2358943
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
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Related reactions
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Compound notes
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