CC(C(=O)O)N1CCC(C1=O)NC(=O)OCC2=CC=CC=C2
Name: (2S)-2-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]propanoic acid
SMILES: CC(C(=O)O)N1CCC(C1=O)NC(=O)OCC2=CC=CC=C2

Molecular Processing

Molecular formula
C15H18N2O5
Molecular weight
306.32
Exact mass
306.1216
XLogP
0.99
TPSA
95.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
76.98

Supplementary Information

InChIKey: UIOKCSZHZMGVMR-JQWIXIFHSA-N
Synonyme
SCHEMBL3165723UIOKCSZHZMGVMR-JQWIXIFHSA-N(2S)-2-((3S)-3-{[(Benzyloxy)carbonyl]amino}-2-oxopyrrolidin-1-yl) propanoic acid(2S)-2-((3S)-3-{[(Benzyloxy)carbonyl]amino}-2-oxopyrrolidin-1-yl)propanoic acid
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