CC(C)(C)OC(=O)N1CCCC1C(C2=CC=C(C=C2)Cl)C(=O)O
Name: (2S)-2-(4-chlorophenyl)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
SMILES: CC(C)(C)OC(=O)N1CCCC1C(C2=CC=C(C=C2)Cl)C(=O)O

Molecular Processing

Molecular formula
C17H22ClNO4
Molecular weight
339.82
Exact mass
339.1237
XLogP
3.91
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
87.79

Supplementary Information

InChIKey: DCAYZHRQQFCZGT-KBPBESRZSA-N
Synonyme
SCHEMBL925410DCAYZHRQQFCZGT-KBPBESRZSA-N(S)-2-((S)-1-(tert-butoxycarbonyl)-pyrrolidin-2-yl)-2-(4-chlorophenyl)acetic acid(S)-2-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-2-(4-chlorophenyl)acetic acid
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