(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid

C5H11NO2S — CID 5288874

IUPAC(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
SMILESCN[C@@H](CSC)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyWQSNCKZPJSHACB-BYPYZUCNSA-N
MW149.22 g/mol
LogP0.02
Rot. Bonds4

About (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid

(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid (PubChem CID 5288874) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
PubChem CID5288874
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
SMILESCN[C@@H](CSC)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyWQSNCKZPJSHACB-BYPYZUCNSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
3-[(2-amino-3-oxobutyl)disulfanyl]-2-(methylamino)propanoic acid
CID 58914401
ethane;2-(methylamino)butanoic acid
CID 91558033
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;3-[[2-carboxy-2-(methylamino)ethyl]disulfanyl]-2-(methylamino)propanoic acid;2-(methylamino)-3-sulfanylpropanoic acid
CID 159528791
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;3-amino-4-[(2-amino-3-oxobutyl)disulfanyl]butan-2-one;3-[[2-carboxy-2-(methylamino)ethyl]disulfanyl]-2-(methylamino)propanoic acid;3-(methylamino)-4-[[2-(methylamino)-3-oxobutyl]disulfanyl]butan-2-one
CID 159352982
3-(methylamino)-4-methylsulfanyl-1-[(1-methylsulfanyl-3-oxobutan-2-yl)amino]butan-2-one
CID 161214194
(2S)-2-(3,3-dimethylbutanoylamino)-3-methylsulfanylpropanoic acid
CID 87077809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid (CID 5288874) is (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid is CN[C@@H](CSC)C(=O)O.
What is the InChIKey of (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid?
The InChIKey is WQSNCKZPJSHACB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid?
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid has a molecular weight of 149.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 5288874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).