2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid

C14H17N3O4 — CID 106258157

IUPAC2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid
SMILESCN1CCC(NC(=O)N(C)c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H17N3O4/c1-16-8-7-10(12(16)18)15-14(21)17(2)11-6-4-3-5-9(11)13(19)20/h3-6,10H,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyLEICIWNVCZLYHP-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.76
Rot. Bonds3

About 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid

2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid (PubChem CID 106258157) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid
PubChem CID106258157
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid
SMILESCN1CCC(NC(=O)N(C)c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H17N3O4/c1-16-8-7-10(12(16)18)15-14(21)17(2)11-6-4-3-5-9(11)13(19)20/h3-6,10H,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyLEICIWNVCZLYHP-UHFFFAOYSA-N
XLogP0.76
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(Morpholin-4-ylcarbonyl)amino]benzoic acid
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2-[3-((S)-1-Methoxycarbonyl-ethyl)-ureido]-benzoic acid methyl ester
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2-{[(Propan-2-yl)carbamoyl]amino}benzoic acid
CID 4799718
2-{[4-(2-(S)-Acetylamino-2-pentylcarbamoylethyl)-phenyl]oxalylamino}benzoic Acid
CID 11733586
2-[(Phenylmethyl)carbamoylamino]benzoic Acid
CID 45267877
2-(3-Methyl-2,4-dioxo-thiazolidin-5-ylamino)-benzoic acid
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Methyl 2-({[(1-propyl-4-piperidinyl)amino]carbonyl}amino)benzoate
CID 970393

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid (CID 106258157) is 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid is CN1CCC(NC(=O)N(C)c2ccccc2C(=O)O)C1=O.
What is the InChIKey of 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid?
The InChIKey is LEICIWNVCZLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-16-8-7-10(12(16)18)15-14(21)17(2)11-6-4-3-5-9(11)13(19)20/h3-6,10H,7-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid?
2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 106258157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).