Basic information
- CAS
90853-20-6- Standard SMILES
CC(NCCCNC1CCCCC1)C(=O)O- InChIKey
NWFCAKQKIQLTFW-UHFFFAOYSA-N- Molecular formula
- C12H24N2O2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.18377801
Names & identifiers
- Preferred name
- N-(3-(Cyclohexylamino)propyl)alanine
- IUPAC
- 2-[3-(cyclohexylamino)propylamino]propanoic acid
Names & synonyms
N-(3-(CYCLOHEXYLAMINO)PROPYL)ALANINE90853-20-6N-[3-(Cyclohexylamino)propyl]alanineDTXSID00920113
Database identifiers
- CAS
90853-20-6- PubChem CID
- 56142
- DTXSID
DTXSID00920113
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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