4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C19H24N2O5 — CID 119229943

IUPAC4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)NC3CCC(C(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O5/c1-26-16-8-6-15(7-9-16)21-11-13(10-17(21)22)18(23)20-14-4-2-12(3-5-14)19(24)25/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyQEZJYUIDNPLMFI-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.81
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229943) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229943
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)NC3CCC(C(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C19H24N2O5/c1-26-16-8-6-15(7-9-16)21-11-13(10-17(21)22)18(23)20-14-4-2-12(3-5-14)19(24)25/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyQEZJYUIDNPLMFI-UHFFFAOYSA-N
XLogP1.81
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 49059492
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119604994
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
(3S)-N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7633205
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
(3R)-N-(4-methylcyclohexyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974507
cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679068

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 119229943) is 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is COc1ccc(N2CC(C(=O)NC3CCC(C(=O)O)CC3)CC2=O)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QEZJYUIDNPLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-26-16-8-6-15(7-9-16)21-11-13(10-17(21)22)18(23)20-14-4-2-12(3-5-14)19(24)25/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).