2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid

C14H14Cl2N2O4 — CID 119171907

IUPAC2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-17(7-12(19)20)13(21)9-4-5-18(14(9)22)11-6-8(15)2-3-10(11)16/h2-3,6,9H,4-5,7H2,1H3,(H,19,20)
InChIKeyAGTWDOFJDWCFEL-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.89
Rot. Bonds4

About 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid

2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid (PubChem CID 119171907) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
PubChem CID119171907
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-17(7-12(19)20)13(21)9-4-5-18(14(9)22)11-6-8(15)2-3-10(11)16/h2-3,6,9H,4-5,7H2,1H3,(H,19,20)
InChIKeyAGTWDOFJDWCFEL-UHFFFAOYSA-N
XLogP1.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]butanoic acid
CID 119172762
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
2-[methyl-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119172571
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 136516200
3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 122111716
1-(2,5-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)-2-oxopyrrolidine-3-carboxamide
CID 102555761
3-[[(3S)-1-(3,4-difluorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125154283
3-[3-(2-aminoethyl)piperidine-1-carbonyl]-1-(2,5-dichlorophenyl)pyrrolidin-2-one
CID 154841105
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119457791
1-(2,5-dichlorophenyl)-2-oxoazetidine-3-carboxamide
CID 142153821

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid (CID 119171907) is 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O.
What is the InChIKey of 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid?
The InChIKey is AGTWDOFJDWCFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-17(7-12(19)20)13(21)9-4-5-18(14(9)22)11-6-8(15)2-3-10(11)16/h2-3,6,9H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid?
2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid has a molecular weight of 345.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119171907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).