1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid

C12H10Cl2N2O4 — CID 46779173

IUPAC1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(NN1CC(C(=O)O)CC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O4/c13-8-2-1-6(3-9(8)14)11(18)15-16-5-7(12(19)20)4-10(16)17/h1-3,7H,4-5H2,(H,15,18)(H,19,20)
InChIKeyUOERFCAOTAQPFK-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.57
Rot. Bonds3

About 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid

1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 46779173) has the molecular formula C12H10Cl2N2O4 and a molecular weight of 317.13 g/mol. Its IUPAC name is 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID46779173
Molecular FormulaC12H10Cl2N2O4
Molecular Weight317.13 g/mol
Exact Mass316.00
IUPAC Name1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(NN1CC(C(=O)O)CC1=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O4/c13-8-2-1-6(3-9(8)14)11(18)15-16-5-7(12(19)20)4-10(16)17/h1-3,7H,4-5H2,(H,15,18)(H,19,20)
InChIKeyUOERFCAOTAQPFK-UHFFFAOYSA-N
XLogP1.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl] (3R)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 41137349
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108537890
1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 3329799
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
N-[(3aS,7aR)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-3,4-dichlorobenzamide
CID 9004337
phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 4272230
3,4-dichloro-N-[(1R,2S,6S,7S,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzamide
CID 7035340
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579826
[2-(2,3-dichloroanilino)-2-oxoethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580661
1-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-oxopyrrolidine-3-carboxylic acid
CID 102189276
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281807

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid (CID 46779173) is 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid is O=C(NN1CC(C(=O)O)CC1=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UOERFCAOTAQPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4/c13-8-2-1-6(3-9(8)14)11(18)15-16-5-7(12(19)20)4-10(16)17/h1-3,7H,4-5H2,(H,15,18)(H,19,20).
What are the key properties of 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid?
1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 317.13 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46779173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).