3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid

C19H24N2O4 — CID 119219560

IUPAC3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
SMILESCC1CCC(N2CC(C(=O)Nc3cccc(C(=O)O)c3)CC2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-12-5-7-16(8-6-12)21-11-14(10-17(21)22)18(23)20-15-4-2-3-13(9-15)19(24)25/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyLIBKOAAPPDLMCK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.75
Rot. Bonds4

About 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid

3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (PubChem CID 119219560) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
PubChem CID119219560
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
SMILESCC1CCC(N2CC(C(=O)Nc3cccc(C(=O)O)c3)CC2=O)CC1
InChIInChI=1S/C19H24N2O4/c1-12-5-7-16(8-6-12)21-11-14(10-17(21)22)18(23)20-15-4-2-3-13(9-15)19(24)25/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyLIBKOAAPPDLMCK-UHFFFAOYSA-N
XLogP2.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
3-[[(3R)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005196
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299
3-[[(3R)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056341
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (CID 119219560) is 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is CC1CCC(N2CC(C(=O)Nc3cccc(C(=O)O)c3)CC2=O)CC1.
What is the InChIKey of 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The InChIKey is LIBKOAAPPDLMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-5-7-16(8-6-12)21-11-14(10-17(21)22)18(23)20-15-4-2-3-13(9-15)19(24)25/h2-4,9,12,14,16H,5-8,10-11H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 119219560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).