2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

C12H11Cl2NO3 — CID 67359184

IUPAC2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO3/c13-9-2-1-7(5-10(9)14)8-3-4-15(12(8)18)6-11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyRGGVOKPFNHSQMO-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.39
Rot. Bonds3

About 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 67359184) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID67359184
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C12H11Cl2NO3/c13-9-2-1-7(5-10(9)14)8-3-4-15(12(8)18)6-11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17)
InChIKeyRGGVOKPFNHSQMO-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-Chloro-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid
CID 646157
2-[4-(3,4-Dichlorophenyl)-2-oxopyrrolidin-1-yl]butanamide
CID 10267787
1-[(3,4-Dichlorophenyl)acetyl]-3-[(dimethylamino)methyl]-3-pyrrolidinol
CID 56915118
Benzeneacetamide,4-dichloro-N-methyl-N-[3-[(methyl)[3-(1-pyrrolidinyl)propyl]amino]propyl]-, diethanedioate (dioxalate)
CID 398603
2-(3,4-dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid
CID 398608
2-(3,4-dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid
CID 398610
2-(3-(2-Chloro-4-fluorophenyl)-2-oxopyrrolidin-1-yl)acetic acid
CID 67360408
1-[2-(3,4-Dichlorophenyl)-2,2-difluoroacetyl]pyrrolidine-2-carboxylic acid
CID 144077193
(4S)-4-(4-chloro-3-fluorophenyl)-2-oxopyrrolidine-1-carboxylic acid
CID 153968767
2-[[2-(3,4-Dichlorophenyl)acetyl]amino]propanoic acid
CID 16105429
2-[[2-(4-Chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257724
2-[[2-(3-Chlorophenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 67359184) is 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is RGGVOKPFNHSQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-9-2-1-7(5-10(9)14)8-3-4-15(12(8)18)6-11(16)17/h1-2,5,8H,3-4,6H2,(H,16,17).
What are the key properties of 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 288.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 67359184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).