CCC(C(=O)OCC(C)C)N
Name: 2-methylpropyl 2-aminobutanoate
SMILES: CCC(C(=O)OCC(C)C)N

Molecular Processing

Molecular formula
C8H17NO2
Molecular weight
159.23
Exact mass
159.1259
XLogP
0.92
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
44.06

Supplementary Information

InChIKey: QZRMWMCNVOAIAU-UHFFFAOYSA-N
Synonyme
isobutyl 2-aminobutyrateiso-butyl 2-aminobutyrateiso-butyl 2-aninobutyrateSCHEMBL563054QZRMWMCNVOAIAU-UHFFFAOYSA-NAKOS010529794
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