C1CN(C(=O)C1N)CC2=CC(=CC=C2)C#N.Cl
Name: 3-[[(3S)-3-amino-2-oxopyrrolidin-1-yl]methyl]benzonitrile;hydrochloride
SMILES: C1CN(C(=O)C1N)CC2=CC(=CC=C2)C#N.Cl

Molecular Processing

Molecular formula
C12H14ClN3O
Molecular weight
251.72
Exact mass
251.0825
XLogP
1.04
TPSA
70.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
66.41

Supplementary Information

InChIKey: ZHASTWZTZMFNOJ-MERQFXBCSA-N
Synonyme
SCHEMBL2327307ZHASTWZTZMFNOJ-MERQFXBCSA-N3-(3(S)-amino-2-oxo-pyrrolidin-1-ylmethyl)-benzonitrile hydrochloride3-(3-(S)-Amino-2-oxo-pyrrolidin-1-ylmethyl)-benzonitrile hydrochloride3-(3-(S)-Amino-2-oxopyrrolidin-1-ylmethyl)benzonitrile hydrochloride
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