2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid

C11H19NO3 — CID 21344879

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

About 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid

2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid (PubChem CID 21344879) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid
PubChem CID21344879
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid
SMILESCCC(CC(C)N1CCCC1=O)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-9(11(14)15)7-8(2)12-6-4-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyPKQDMYXYGMGCKV-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

4-Methyl-2-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 43166880
1-[(Tert-butoxy)carbonyl]-2-ethylpyrrolidine-3-carboxylic acid
CID 71773399
1-Carboxy-methylisonipecotic acid
CID 22327176
Brivaracetam Impurity 87
CID 59650079
1-(3-Cyclohexylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363784
1-(Cyclooctanecarbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364130
Unii-2EO3gfe2R9
CID 59650074
2-[4-(2-Fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 70995658
3-Fluoro-1-(4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 115731683
3-Fluoro-1-(2-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 115731710
1-(3,5-Dimethylhexanoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258141
1-(3-Ethyl-4-methylpentanoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258347

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid (CID 21344879) is 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid is CCC(CC(C)N1CCCC1=O)C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is PKQDMYXYGMGCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-9(11(14)15)7-8(2)12-6-4-5-10(12)13/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid?
2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic 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-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 21344879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).