2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid

C12H12ClNO4 — CID 168701618

IUPAC2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CC(O)CC1=O
InChIInChI=1S/C12H12ClNO4/c13-8-3-1-7(2-4-8)11(12(17)18)14-6-9(15)5-10(14)16/h1-4,9,11,15H,5-6H2,(H,17,18)
InChIKeyMTAPEGNMZBBFHO-UHFFFAOYSA-N
MW269.68 g/mol
LogP1.06
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid

2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 168701618) has the molecular formula C12H12ClNO4 and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID168701618
Molecular FormulaC12H12ClNO4
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CC(O)CC1=O
InChIInChI=1S/C12H12ClNO4/c13-8-3-1-7(2-4-8)11(12(17)18)14-6-9(15)5-10(14)16/h1-4,9,11,15H,5-6H2,(H,17,18)
InChIKeyMTAPEGNMZBBFHO-UHFFFAOYSA-N
XLogP1.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
3-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)propanoic acid
CID 168701665
2-(4-hydroxyphenyl)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)acetic acid
CID 168707779
1-[(4-bromophenyl)-carboxymethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690265
(2R)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168695895
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-(4-methylphenyl)acetic acid
CID 168695788
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168698845
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid (CID 168701618) is 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid is O=C(O)C(c1ccc(Cl)cc1)N1CC(O)CC1=O.
What is the InChIKey of 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is MTAPEGNMZBBFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4/c13-8-3-1-7(2-4-8)11(12(17)18)14-6-9(15)5-10(14)16/h1-4,9,11,15H,5-6H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 269.68 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168701618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).