5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

C13H16N2O3 — CID 58714763

IUPAC5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC[C@H]1CCCN1C(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-2-11-4-3-5-15(11)12(16)9-6-10(13(17)18)8-14-7-9/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyURCFZWSOEZSKEV-NSHDSACASA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds3

About 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 58714763) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID58714763
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC[C@H]1CCCN1C(=O)c1cncc(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-2-11-4-3-5-15(11)12(16)9-6-10(13(17)18)8-14-7-9/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyURCFZWSOEZSKEV-NSHDSACASA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240509
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240527
5-[(2S,3R)-2-(hydroxymethyl)-3-methylpiperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 166262457
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (CID 58714763) is 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is CC[C@H]1CCCN1C(=O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is URCFZWSOEZSKEV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-11-4-3-5-15(11)12(16)9-6-10(13(17)18)8-14-7-9/h6-8,11H,2-5H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58714763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).