BCN
- Molecular formula
- C6 H13 N O4
- Molecular weight (g/mol)
- 163.17
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- BICINE
- SMILES
- C(CO)N(CCO)CC(=O)O
- Isomeric SMILES
- C(CO)N(CCO)CC(=O)O
- InChI
- InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
- InChIKey
- FSVCELGFZIQNCK-UHFFFAOYSA-N
- CAS
- 150-25-4
Chemical & physical properties
- HBA
- 4
- HBD
- 3
- TPSA (Ų)
- 81.0
- cLogP
- -1.64
- Chiral atoms
- 0
- Molar refractivity
- 38.25
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 0.83
- Formal charge
- 0
Calculated properties
QED0.437
NPScore-0.076334607
SAScore7.72824697