2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid

C12H16N2O2 — CID 93394486

IUPAC2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESCC[C@@H]1CCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-8-9(12(15)16)5-6-13-11/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyCEWWIYDZHOSPDG-SNVBAGLBSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds3

About 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid

2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 93394486) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
PubChem CID93394486
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
SMILESCC[C@@H]1CCCN1c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-8-9(12(15)16)5-6-13-11/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyCEWWIYDZHOSPDG-SNVBAGLBSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175704
2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
CID 113285409
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175691
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
N,N-dimethyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyridine-4-carboxamide
CID 175589631
2-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109175707
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid (CID 93394486) is 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid is CC[C@@H]1CCCN1c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is CEWWIYDZHOSPDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-10-4-3-7-14(10)11-8-9(12(15)16)5-6-13-11/h5-6,8,10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid?
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 93394486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).