(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid

C10H12N2O2S2 — CID 87998670

IUPAC(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCC1SSc1ccccn1
InChIInChI=1S/C10H12N2O2S2/c13-10(14)9-7(4-6-12-9)15-16-8-3-1-2-5-11-8/h1-3,5,7,9,12H,4,6H2,(H,13,14)/t7?,9-/m0/s1
InChIKeyMEEAWKHGXLQDJL-NETXQHHPSA-N
MW256.35 g/mol
LogP1.64
Rot. Bonds4

About (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid

(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid (PubChem CID 87998670) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid
PubChem CID87998670
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC Name(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCC1SSc1ccccn1
InChIInChI=1S/C10H12N2O2S2/c13-10(14)9-7(4-6-12-9)15-16-8-3-1-2-5-11-8/h1-3,5,7,9,12H,4,6H2,(H,13,14)/t7?,9-/m0/s1
InChIKeyMEEAWKHGXLQDJL-NETXQHHPSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-(pyridin-2-yldisulfanyl)cycloheptyl] hydrogen carbonate
CID 172715272
(1R)-2-(pyridin-2-yldisulfanyl)cyclopentan-1-ol
CID 168894711
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
CID 89235530
2-[(2-methylcyclohexyl)disulfanyl]pyridine
CID 155476291
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
(4-nitrophenyl) [(1R,2R)-2-(pyridin-2-yldisulfanyl)cyclopentyl] carbonate
CID 155484740
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
(4-nitrophenyl) [(1S,2S)-2-(pyridin-2-yldisulfanyl)cycloheptyl] carbonate
CID 155484727
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-cyclopropyl-2-pyridin-2-ylsulfanylpropanoic acid
CID 82238766
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid (CID 87998670) is (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCCC1SSc1ccccn1.
What is the InChIKey of (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MEEAWKHGXLQDJL-NETXQHHPSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c13-10(14)9-7(4-6-12-9)15-16-8-3-1-2-5-11-8/h1-3,5,7,9,12H,4,6H2,(H,13,14)/t7?,9-/m0/s1.
What are the key properties of (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid?
(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 87998670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).