2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid

C14H23NO4 — CID 43470103

IUPAC2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-5-6-7-10(12(17)18)15-11(16)8-14(4,9(2)3)13(15)19/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyGOCLIWDZWPEFEK-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.05
Rot. Bonds6

About 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid (PubChem CID 43470103) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid
PubChem CID43470103
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-5-6-7-10(12(17)18)15-11(16)8-14(4,9(2)3)13(15)19/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyGOCLIWDZWPEFEK-UHFFFAOYSA-N
XLogP2.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-succinyl l-leucine
CID 1531336
Brivaracetam Impurity 87
CID 59650079
N-succinyl l-isoleucine
CID 129851142
Unii-2EO3gfe2R9
CID 59650074
(2S)-1-[3-(fluoromethyl)-5,5-dimethyl-4-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 70570925
2-[4-(2-Fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 70995658
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 1531337
(2S,3S)-2-(2,5-dioxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 1531339
2-(2,5-Dioxopyrrolidin-1-yl)-4-methylpentanoic acid
CID 5151416
1-(2-Ethylhexanoyl)-5-oxopyrrolidine-2-carboxylic acid
CID 13655609
(2S)-1-(2-ethylhexanoyl)-5-oxopyrrolidine-2-carboxylic acid
CID 13655610
methyl (2S)-4-methyl-2-[3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]pentanoate
CID 18644114

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid (CID 43470103) is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid is CCCCC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid?
The InChIKey is GOCLIWDZWPEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-6-7-10(12(17)18)15-11(16)8-14(4,9(2)3)13(15)19/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid?
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 43470103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).