2-oxo-4-propylpyrrolidine-1-carboxylic acid

C8H13NO3 — CID 22928680

IUPAC2-oxo-4-propylpyrrolidine-1-carboxylic acid
SMILESCCCC1CC(=O)N(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-7(10)9(5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeySAMHPRJQSIRRMM-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.31
Rot. Bonds2

About 2-oxo-4-propylpyrrolidine-1-carboxylic acid

2-oxo-4-propylpyrrolidine-1-carboxylic acid (PubChem CID 22928680) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-oxo-4-propylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-oxo-4-propylpyrrolidine-1-carboxylic acid
PubChem CID22928680
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-oxo-4-propylpyrrolidine-1-carboxylic acid
SMILESCCCC1CC(=O)N(C(=O)O)C1
InChIInChI=1S/C8H13NO3/c1-2-3-6-4-7(10)9(5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeySAMHPRJQSIRRMM-UHFFFAOYSA-N
XLogP1.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophene-2-carbonyl)-4-propylpyrrolidin-2-one
CID 104511934
1-(5-bromothiophene-3-carbonyl)-4-propylpyrrolidin-2-one
CID 104511933
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137
1-(5-chloropyrazine-2-carbonyl)-4-propylpyrrolidin-2-one
CID 107372174
1-(6-chloropyridine-2-carbonyl)-4-propylpyrrolidin-2-one
CID 104511675
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
1-(4-oxopentyl)-4-propylpyrrolidin-2-one
CID 104512085
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511114
(2S)-2-(1-ethylcycloprop-2-en-1-yl)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]acetic acid
CID 134580634

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-propylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-oxo-4-propylpyrrolidine-1-carboxylic acid (CID 22928680) is 2-oxo-4-propylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-oxo-4-propylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-oxo-4-propylpyrrolidine-1-carboxylic acid is CCCC1CC(=O)N(C(=O)O)C1.
What is the InChIKey of 2-oxo-4-propylpyrrolidine-1-carboxylic acid?
The InChIKey is SAMHPRJQSIRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-6-4-7(10)9(5-6)8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-oxo-4-propylpyrrolidine-1-carboxylic acid?
2-oxo-4-propylpyrrolidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-propylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).