2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

C13H14N2O4 — CID 83191682

IUPAC2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1CNC(=O)C1)c1ccccc1C(=O)O
InChIInChI=1S/C13H14N2O4/c1-15(12(17)8-6-11(16)14-7-8)10-5-3-2-4-9(10)13(18)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyLYEHSWGOYGTXTG-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.48
Rot. Bonds3

About 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 83191682) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID83191682
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1CNC(=O)C1)c1ccccc1C(=O)O
InChIInChI=1S/C13H14N2O4/c1-15(12(17)8-6-11(16)14-7-8)10-5-3-2-4-9(10)13(18)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeyLYEHSWGOYGTXTG-UHFFFAOYSA-N
XLogP0.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78917930
2-[carboxy(methyl)amino]benzoic acid
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2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61159518
2-[methyl(thiomorpholine-3-carbonyl)amino]benzoic acid
CID 82908223
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
(3R)-N-methyl-6-oxo-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 95292808
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
[2-(2-methoxycarbonyl-N-methylanilino)-2-oxoethyl] 6-oxopiperidine-3-carboxylate
CID 71887849
2-[[cyclopropyl(propyl)carbamoyl]-methylamino]benzoic acid
CID 61196584

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (CID 83191682) is 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is CN(C(=O)C1CNC(=O)C1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is LYEHSWGOYGTXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15(12(17)8-6-11(16)14-7-8)10-5-3-2-4-9(10)13(18)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 83191682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).