(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

C13H16N2O3S — CID 164643877

IUPAC(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Sc1ccccn1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H16N2O3S/c1-9(19-11-6-2-3-7-14-11)12(16)15-8-4-5-10(15)13(17)18/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyAJSYPROKVMWKOG-QVDQXJPCSA-N
MW280.35 g/mol
LogP1.64
Rot. Bonds4

About (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 164643877) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID164643877
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Sc1ccccn1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C13H16N2O3S/c1-9(19-11-6-2-3-7-14-11)12(16)15-8-4-5-10(15)13(17)18/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyAJSYPROKVMWKOG-QVDQXJPCSA-N
XLogP1.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate
CID 125138000
(2S)-1-[(2S)-3-methyl-2-(pyridin-2-ylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 70302822
(2S)-1-[2-(disulfanyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 58153789
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
tert-butyl (2S)-2-pyridin-2-ylsulfanylcarbonylpyrrolidine-1-carboxylate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 158451373
(2S)-1-[2-(4-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid
CID 66262701
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
(2S)-1-[(2S)-2-(1-carboxy-3-phenylpropyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 57264003
(2S)-1-[2-(1-carboxy-3-phenylpropyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
CID 57393223

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid (CID 164643877) is (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid is CC(Sc1ccccn1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AJSYPROKVMWKOG-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(19-11-6-2-3-7-14-11)12(16)15-8-4-5-10(15)13(17)18/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,17,18)/t9?,10-/m1/s1.
What are the key properties of (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 164643877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).