(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid

C10H14N2O2S — CID 172812475

IUPAC(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
SMILESC[C@](N)(CCSc1ccccn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-10(11,9(13)14)5-7-15-8-4-2-3-6-12-8/h2-4,6H,5,7,11H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeySJGGAFYDTXLXTK-JTQLQIEISA-N
MW226.30 g/mol
LogP1.37
Rot. Bonds5

About (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid

(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid (PubChem CID 172812475) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
PubChem CID172812475
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
SMILESC[C@](N)(CCSc1ccccn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-10(11,9(13)14)5-7-15-8-4-2-3-6-12-8/h2-4,6H,5,7,11H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeySJGGAFYDTXLXTK-JTQLQIEISA-N
XLogP1.37
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-pyridin-2-ylsulfanylpentanoic acid
CID 65259922
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile
CID 116693137
2-methyl-2-(methylamino)-5-pyridin-2-ylsulfanylpentan-1-ol
CID 64807025
2-pyridin-2-ylsulfanylethylcarbamic acid
CID 22357478
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917690
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876
ethyl 2-amino-2-methyl-4-pyrimidin-4-ylsulfanylbutanoate
CID 63698194
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
methyl 2-bromo-3-pyridin-2-ylsulfanylpropanoate
CID 81091172
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid (CID 172812475) is (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid is C[C@](N)(CCSc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid?
The InChIKey is SJGGAFYDTXLXTK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(11,9(13)14)5-7-15-8-4-2-3-6-12-8/h2-4,6H,5,7,11H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid?
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid has a molecular weight of 226.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid is sourced from PubChem (CID 172812475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).