(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid

C10H12N2O2 — CID 141351322

IUPAC(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2cccnc2)CCCN1
InChIInChI=1S/C10H12N2O2/c13-9(14)10(4-2-6-12-10)8-3-1-5-11-7-8/h1,3,5,7,12H,2,4,6H2,(H,13,14)/t10-/m0/s1
InChIKeyDDAZWUCQTMDFGA-JTQLQIEISA-N
MW192.22 g/mol
LogP0.74
Rot. Bonds2

About (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid

(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid (PubChem CID 141351322) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
PubChem CID141351322
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2cccnc2)CCCN1
InChIInChI=1S/C10H12N2O2/c13-9(14)10(4-2-6-12-10)8-3-1-5-11-7-8/h1,3,5,7,12H,2,4,6H2,(H,13,14)/t10-/m0/s1
InChIKeyDDAZWUCQTMDFGA-JTQLQIEISA-N
XLogP0.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
(2R)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141351332
(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 172819902
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
3-(2-phenylpiperidin-2-yl)pyridine
CID 173052261
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-(2-propylpyrrolidin-2-yl)pyridine
CID 66468075
1-pyridin-3-ylcyclopent-3-ene-1-carboxylic acid
CID 79006712
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
3-(1-fluorocyclobutyl)pyridine
CID 158766896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid (CID 141351322) is (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@@]1(c2cccnc2)CCCN1.
What is the InChIKey of (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid?
The InChIKey is DDAZWUCQTMDFGA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9(14)10(4-2-6-12-10)8-3-1-5-11-7-8/h1,3,5,7,12H,2,4,6H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid?
(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).