2-amino-2-methyl-4-methylsulfanylbutanoic acid

C6H13NO2S — CID 2111

IUPAC2-amino-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCCC(C)(N)C(=O)O
InChIInChI=1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyZYVMPHJZWXIFDQ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.54
Rot. Bonds4

About 2-amino-2-methyl-4-methylsulfanylbutanoic acid

2-amino-2-methyl-4-methylsulfanylbutanoic acid (PubChem CID 2111) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-amino-2-methyl-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-methylsulfanylbutanoic acid
PubChem CID2111
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-amino-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCCC(C)(N)C(=O)O
InChIInChI=1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyZYVMPHJZWXIFDQ-UHFFFAOYSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Methionine
CID 6137
(+-)-Methionine
CID 876
D-Methionine
CID 84815
S-Methyl-L-methionine
CID 145692
4-Aminothiane-4-carboxylic acid
CID 336313
Methionine C-11
CID 11789360
(3-Amino-3-carboxypropyl)(dimethyl)sulfanium
CID 458
L-methioninium
CID 5460891
4-Aminothiane-4-carboxylic acid hydrochloride
CID 2734407
2-Methyl-D-methionine
CID 11480621
3-Aminotetrahydro-3-thiophenecarboxylic acid
CID 13893658
D-Valine, 3-(methylthio)-
CID 10329618

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-amino-2-methyl-4-methylsulfanylbutanoic acid (CID 2111) is 2-amino-2-methyl-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-methylsulfanylbutanoic acid is CSCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The InChIKey is ZYVMPHJZWXIFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6(7,5(8)9)3-4-10-2/h3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-2-methyl-4-methylsulfanylbutanoic acid?
2-amino-2-methyl-4-methylsulfanylbutanoic acid has a molecular weight of 163.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 2111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).