(2R)-2-quinolin-2-ylsulfanylpropanoic acid

C12H11NO2S — CID 950909

IUPAC(2R)-2-quinolin-2-ylsulfanylpropanoic acid
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJLYPYACZXPBHLU-MRVPVSSYSA-N
MW233.29 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-quinolin-2-ylsulfanylpropanoic acid

(2R)-2-quinolin-2-ylsulfanylpropanoic acid (PubChem CID 950909) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is (2R)-2-quinolin-2-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-quinolin-2-ylsulfanylpropanoic acid
PubChem CID950909
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name(2R)-2-quinolin-2-ylsulfanylpropanoic acid
SMILESC[C@@H](Sc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJLYPYACZXPBHLU-MRVPVSSYSA-N
XLogP2.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755097
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7754781
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
2-(6-nitroquinolin-2-yl)sulfanylpropanoic acid
CID 43450803
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-quinolin-2-ylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-quinolin-2-ylsulfanylpropanoic acid (CID 950909) is (2R)-2-quinolin-2-ylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-quinolin-2-ylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-quinolin-2-ylsulfanylpropanoic acid is C[C@@H](Sc1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of (2R)-2-quinolin-2-ylsulfanylpropanoic acid?
The InChIKey is JLYPYACZXPBHLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8(12(14)15)16-11-7-6-9-4-2-3-5-10(9)13-11/h2-8H,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-quinolin-2-ylsulfanylpropanoic acid?
(2R)-2-quinolin-2-ylsulfanylpropanoic acid has a molecular weight of 233.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-quinolin-2-ylsulfanylpropanoic acid is sourced from PubChem (CID 950909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).