2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid

C11H19NO3 — CID 22091040

IUPAC2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid
SMILESCCC(CC(C)C(=O)O)N1CCCC1=O
InChIInChI=1S/C11H19NO3/c1-3-9(7-8(2)11(14)15)12-6-4-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGHKKFWMMUXUZKS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid

2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid (PubChem CID 22091040) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid
PubChem CID22091040
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid
SMILESCCC(CC(C)C(=O)O)N1CCCC1=O
InChIInChI=1S/C11H19NO3/c1-3-9(7-8(2)11(14)15)12-6-4-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyGHKKFWMMUXUZKS-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Ethyl-5-oxopyrrolidin-2-yl)acetic acid
CID 3023785
4-Methyl-2-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 43166880
Brivaracetam Impurity 87
CID 59650079
1-Butan-2-ylpyrrolidin-2-one;2-methylbutanoic acid
CID 163655290
Unii-2EO3gfe2R9
CID 59650074
3-Fluoro-1-(2-methylhexanoyl)pyrrolidine-3-carboxylic acid
CID 121909506
4-[Cyclopentanecarbonyl(methyl)amino]butanoic acid
CID 43090107
5-Ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
Methyl 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoate
CID 20826104
2-Ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 21344879
Alpha-Ethyl-2-oxo-4-propyl-1-pyrrolidineacetic Acid
CID 21923266
2,3-Dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoate
CID 22086165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid (CID 22091040) is 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid is CCC(CC(C)C(=O)O)N1CCCC1=O.
What is the InChIKey of 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid?
The InChIKey is GHKKFWMMUXUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-9(7-8(2)11(14)15)12-6-4-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid?
2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxopyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 22091040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).