1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C12H11Cl2NO3 — CID 15923287

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-8-2-1-7(9(14)5-8)6-15-10(12(17)18)3-4-11(15)16/h1-2,5,10H,3-4,6H2,(H,17,18)
InChIKeyVJFCMJBJUAUWEI-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.57
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 15923287) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID15923287
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO3/c13-8-2-1-7(9(14)5-8)6-15-10(12(17)18)3-4-11(15)16/h1-2,5,10H,3-4,6H2,(H,17,18)
InChIKeyVJFCMJBJUAUWEI-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
1-[(5-bromo-2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62875502
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
N-(cyclohexylmethyl)-2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetamide
CID 166541593
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380
1-[(2,4-dichlorophenyl)methyl]-5-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 175838103
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 114484309
2-[1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(3,3-dimethylbutyl)acetamide
CID 166541656
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 15923287) is 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is VJFCMJBJUAUWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-8-2-1-7(9(14)5-8)6-15-10(12(17)18)3-4-11(15)16/h1-2,5,10H,3-4,6H2,(H,17,18).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 288.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15923287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).