2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid

C8H17NO2S2 — CID 54287710

IUPAC2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid
SMILESCSCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C8H17NO2S2/c1-12-5-3-8(9,7(10)11)4-6-13-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyRVIDBZUFMDSCAY-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.27
Rot. Bonds7

About 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid

2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid (PubChem CID 54287710) has the molecular formula C8H17NO2S2 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid
PubChem CID54287710
Molecular FormulaC8H17NO2S2
Molecular Weight223.36 g/mol
Exact Mass223.07
IUPAC Name2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid
SMILESCSCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C8H17NO2S2/c1-12-5-3-8(9,7(10)11)4-6-13-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyRVIDBZUFMDSCAY-UHFFFAOYSA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid?
The IUPAC name of 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid (CID 54287710) is 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid.
What is the SMILES notation for 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid?
The canonical SMILES for 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid is CSCCC(N)(CCSC)C(=O)O.
What is the InChIKey of 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid?
The InChIKey is RVIDBZUFMDSCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S2/c1-12-5-3-8(9,7(10)11)4-6-13-2/h3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid?
2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid has a molecular weight of 223.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-2-(2-methylsulfanylethyl)butanoic acid is sourced from PubChem (CID 54287710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).