(2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid

C6H13NO2S — CID 11480621

IUPAC(2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@](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)/t6-/m1/s1
InChIKeyZYVMPHJZWXIFDQ-ZCFIWIBFSA-N
MW163.24 g/mol
LogP0.54
Rot. Bonds4

About (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid

(2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid (PubChem CID 11480621) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
PubChem CID11480621
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@](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)/t6-/m1/s1
InChIKeyZYVMPHJZWXIFDQ-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid (CID 11480621) is (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid is CSCC[C@@](C)(N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid?
The InChIKey is ZYVMPHJZWXIFDQ-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid?
(2R)-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 (2R)-2-amino-2-methyl-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 11480621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).