2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

C15H18N2O4 — CID 119137112

IUPAC2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(N2CC(C(=O)NCC(=O)O)CC2=O)c1C
InChIInChI=1S/C15H18N2O4/c1-9-4-3-5-12(10(9)2)17-8-11(6-13(17)18)15(21)16-7-14(19)20/h3-5,11H,6-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySKOXYMXPGRHOBL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds4

About 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid

2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (PubChem CID 119137112) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
PubChem CID119137112
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(N2CC(C(=O)NCC(=O)O)CC2=O)c1C
InChIInChI=1S/C15H18N2O4/c1-9-4-3-5-12(10(9)2)17-8-11(6-13(17)18)15(21)16-7-14(19)20/h3-5,11H,6-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeySKOXYMXPGRHOBL-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 97324448
7-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 119227650
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
2-[2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218549
N-(3-aminobutyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119498292
(2S)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238624
(3R)-1-(2,3-dimethylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34746625
(3R)-1-(2,3-dimethylphenyl)-N-[2-(3-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 52792137
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
methyl 2-[[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95127376
(3S)-1-(2,3-dimethylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 35509762
N-[2-(3-chlorophenyl)ethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186297

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid (CID 119137112) is 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is Cc1cccc(N2CC(C(=O)NCC(=O)O)CC2=O)c1C.
What is the InChIKey of 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
The InChIKey is SKOXYMXPGRHOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-4-3-5-12(10(9)2)17-8-11(6-13(17)18)15(21)16-7-14(19)20/h3-5,11H,6-8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid?
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119137112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).