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

C18H30N2O4 — CID 119203994

IUPAC4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC1CCC(N2CC(C(=O)NC(C)(C)CCC(=O)O)CC2=O)CC1
InChIInChI=1S/C18H30N2O4/c1-12-4-6-14(7-5-12)20-11-13(10-15(20)21)17(24)19-18(2,3)9-8-16(22)23/h12-14H,4-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyZVYUEYIGXCVTQA-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.17
Rot. Bonds6

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

4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 119203994) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID119203994
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC1CCC(N2CC(C(=O)NC(C)(C)CCC(=O)O)CC2=O)CC1
InChIInChI=1S/C18H30N2O4/c1-12-4-6-14(7-5-12)20-11-13(10-15(20)21)17(24)19-18(2,3)9-8-16(22)23/h12-14H,4-11H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyZVYUEYIGXCVTQA-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670927
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
3-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261581
4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357531
(3S)-1-cyclopropyl-N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97140593
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124691395
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 119203994) is 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is CC1CCC(N2CC(C(=O)NC(C)(C)CCC(=O)O)CC2=O)CC1.
What is the InChIKey of 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is ZVYUEYIGXCVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-12-4-6-14(7-5-12)20-11-13(10-15(20)21)17(24)19-18(2,3)9-8-16(22)23/h12-14H,4-11H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 338.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 119203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).