2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid

C15H20N2O3 — CID 65302628

IUPAC2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)(CC(=O)N1CCCC1c1cccnc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-13(18)17-8-4-6-12(17)11-5-3-7-16-10-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyBEQSRPOUHWFQFS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds4

About 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid

2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid (PubChem CID 65302628) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
PubChem CID65302628
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
SMILESCC(C)(CC(=O)N1CCCC1c1cccnc1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-13(18)17-8-4-6-12(17)11-5-3-7-16-10-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20)
InChIKeyBEQSRPOUHWFQFS-UHFFFAOYSA-N
XLogP2.25
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic 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

2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
5-methyl-3-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 136529802
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid (CID 65302628) is 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid is CC(C)(CC(=O)N1CCCC1c1cccnc1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid?
The InChIKey is BEQSRPOUHWFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-13(18)17-8-4-6-12(17)11-5-3-7-16-10-11/h3,5,7,10,12H,4,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid?
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 65302628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).