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

C10H12N2O2 — CID 67757979

IUPAC(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN[C@@H]1c1cccnc1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-5-12-9(8)7-2-1-4-11-6-7/h1-2,4,6,8-9,12H,3,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyNXBMOADJIYFNOS-RKDXNWHRSA-N
MW192.22 g/mol
LogP0.82
Rot. Bonds2

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

(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid (PubChem CID 67757979) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
PubChem CID67757979
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN[C@@H]1c1cccnc1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-3-5-12-9(8)7-2-1-4-11-6-7/h1-2,4,6,8-9,12H,3,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyNXBMOADJIYFNOS-RKDXNWHRSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-ylpiperidine-3-carboxylic acid
CID 83916473
(2S,3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 7141550
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 17389651
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
(2S,3S)-N-isoquinolin-7-yl-2-phenylpyrrolidine-3-carboxamide
CID 172895311
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid (CID 67757979) is (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
The InChIKey is NXBMOADJIYFNOS-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-3-5-12-9(8)7-2-1-4-11-6-7/h1-2,4,6,8-9,12H,3,5H2,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid?
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 67757979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).