Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](N)CN1CC1CCCCC1- InChIKey
QQECWEJWXKGJIX-NEPJUHHUSA-N- Molecular formula
- C13H24N2O2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.18377801
Names & identifiers
- Preferred name
- (2S,4R)-4-Amino-1-cyclohexylmethyl-pyrrolidine-2-carboxylic acid methyl ester
- IUPAC
- methyl (2S,4R)-4-amino-1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL15221406QQECWEJWXKGJIX-NEPJUHHUSA-N(2S,4R)-4-Amino-1-cyclohexylmethyl-pyrrolidine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 89776174
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
2 records
Compound notes
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