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

C10H17NO3 — CID 141295228

IUPAC2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCCC(CCN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-8(10(13)14)5-7-11-6-3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyPUWSIHYNYNAHOY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds5

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

2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 141295228) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID141295228
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCCC(CCN1CCCC1=O)C(=O)O
InChIInChI=1S/C10H17NO3/c1-2-8(10(13)14)5-7-11-6-3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyPUWSIHYNYNAHOY-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetylpiperidine-4-carboxylic acid
CID 117255
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108
1-(3-Methylbutanoyl)-4-piperidinecarboxylic acid
CID 16769238
1-(2-Methylpropanoyl)piperidine-4-carboxylic acid
CID 16770959
1-Acetylpyrrolidine-3-carboxylic acid
CID 22117928
1-Octyl-5-oxopyrrolidine-3-carboxylic acid
CID 94089
1-Propionyl-4-piperidinecarboxylic acid
CID 685155
1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
CID 111996
(3R)-1-Acetylpyrrolidine-3-carboxylic acid
CID 68220896
(3R)-1-(3,3-dimethylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 164629899

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid (CID 141295228) is 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid is CCC(CCN1CCCC1=O)C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is PUWSIHYNYNAHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-8(10(13)14)5-7-11-6-3-4-9(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid?
2-ethyl-4-(2-oxopyrrolidin-1-yl)butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 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)butanoic acid is sourced from PubChem (CID 141295228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).