2-amino-2-(2-methylsulfanylethyl)pentanoic acid

C8H17NO2S — CID 22102457

IUPAC2-amino-2-(2-methylsulfanylethyl)pentanoic acid
SMILESCCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyVIJYATZSWZFKJU-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.32
Rot. Bonds6

About 2-amino-2-(2-methylsulfanylethyl)pentanoic acid

2-amino-2-(2-methylsulfanylethyl)pentanoic acid (PubChem CID 22102457) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-amino-2-(2-methylsulfanylethyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-methylsulfanylethyl)pentanoic acid
PubChem CID22102457
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-amino-2-(2-methylsulfanylethyl)pentanoic acid
SMILESCCCC(N)(CCSC)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyVIJYATZSWZFKJU-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylsulfanylethyl)pentanoic acid?
The IUPAC name of 2-amino-2-(2-methylsulfanylethyl)pentanoic acid (CID 22102457) is 2-amino-2-(2-methylsulfanylethyl)pentanoic acid.
What is the SMILES notation for 2-amino-2-(2-methylsulfanylethyl)pentanoic acid?
The canonical SMILES for 2-amino-2-(2-methylsulfanylethyl)pentanoic acid is CCCC(N)(CCSC)C(=O)O.
What is the InChIKey of 2-amino-2-(2-methylsulfanylethyl)pentanoic acid?
The InChIKey is VIJYATZSWZFKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-4-8(9,7(10)11)5-6-12-2/h3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-2-(2-methylsulfanylethyl)pentanoic acid?
2-amino-2-(2-methylsulfanylethyl)pentanoic acid has a molecular weight of 191.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylsulfanylethyl)pentanoic acid is sourced from PubChem (CID 22102457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).