3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid

C16H19ClN2O4 — CID 119249485

IUPAC3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)O
InChIInChI=1S/C16H19ClN2O4/c1-16(2,15(22)23)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyIUAWLJPTZNJZHP-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.92
Rot. Bonds5

About 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249485) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249485
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)O
InChIInChI=1S/C16H19ClN2O4/c1-16(2,15(22)23)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyIUAWLJPTZNJZHP-UHFFFAOYSA-N
XLogP1.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249569

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 119249485) is 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)O.
What is the InChIKey of 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is IUAWLJPTZNJZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-16(2,15(22)23)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 338.79 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).