Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC1(C(=O)OCc2ccccc2)CCCC1- InChIKey
JSLBQWTZDSOEJN-UHFFFAOYSA-N- Molecular formula
- C20H25NO5S
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- Benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate
- IUPAC
- benzyl 1-aminocyclopentane-1-carboxylate;4-methylbenzenesulfonic acid
Names & synonyms
NSC80126NSC-80126SCHEMBL4615932CHEMBL1399699JSLBQWTZDSOEJN-UHFFFAOYSA-NNCI80126CCG-37320NCGC00013854NCGC00013854-02NCGC00096964-01NCI60_041764benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate
Show more names
Cyclopentanecarboxylic acid, benzyl ester, p-toluenesulfonate1-aminocyclopentanecarboxylic acid benzyl ester p-toluenesulfonic acid saltCyclopentanecarboxylic acid, phenylmethyl ester, 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 254983
- ChEMBL
CHEMBL1399699
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 447
Related reactions
2 records
Compound notes
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