2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid

C16H22N2O3 — CID 166317615

IUPAC2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid
SMILESCCc1cccnc1C(=O)N1CCCC1C(C)(C)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-4-11-7-5-9-17-13(11)14(19)18-10-6-8-12(18)16(2,3)15(20)21/h5,7,9,12H,4,6,8,10H2,1-3H3,(H,20,21)
InChIKeyMDLWELKWBZVDPM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid

2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid (PubChem CID 166317615) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid
PubChem CID166317615
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid
SMILESCCc1cccnc1C(=O)N1CCCC1C(C)(C)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-4-11-7-5-9-17-13(11)14(19)18-10-6-8-12(18)16(2,3)15(20)21/h5,7,9,12H,4,6,8,10H2,1-3H3,(H,20,21)
InChIKeyMDLWELKWBZVDPM-UHFFFAOYSA-N
XLogP2.36
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 124737688
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
[(2R)-2-methylpyrrolidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 123840614
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid (CID 166317615) is 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid is CCc1cccnc1C(=O)N1CCCC1C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid?
The InChIKey is MDLWELKWBZVDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11-7-5-9-17-13(11)14(19)18-10-6-8-12(18)16(2,3)15(20)21/h5,7,9,12H,4,6,8,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid?
2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 166317615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).