2-Amino-3-benzylaminobutyric acid
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Basic information
- Standard SMILES
CC(NCc1ccccc1)C(N)C(=O)O- InChIKey
HMAPDMLXVRGCDQ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117776
Names & identifiers
- Preferred name
- 2-Amino-3-benzylaminobutyric acid
- IUPAC
- 2-amino-3-(benzylamino)butanoic acid
Names & synonyms
SCHEMBL108914632-amino-3-benzylaminobutyric acidHMAPDMLXVRGCDQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 23319792
Properties
Computed structural propertiesFilling in
- XLogP
- -1.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
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Related reactions
3 records
Compound notes
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