Basic information
- Standard SMILES
Nc1cc(C(=O)O)ccc1CN1CCCC1- InChIKey
YMSNPKUDQSJWFU-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-(1-pyrrolidinylmethyl)benzoic acid
- IUPAC
- 3-amino-4-(pyrrolidin-1-ylmethyl)benzoic acid
Names & synonyms
SCHEMBL9456970YMSNPKUDQSJWFU-UHFFFAOYSA-NAKOS0041217773-amino-4-(1-pyrrolidinylmethyl)benzoic acid
Database identifiers
- PubChem CID
- 15670375
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
2 records
Compound notes
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