2-amino-10-methylsulfanyldecanoic acid

C11H23NO2S — CID 25010766

IUPAC2-amino-10-methylsulfanyldecanoic acid
SMILESCSCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyXVGBKWQWYRNGDG-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.49
Rot. Bonds10

About 2-amino-10-methylsulfanyldecanoic acid

2-amino-10-methylsulfanyldecanoic acid (PubChem CID 25010766) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-amino-10-methylsulfanyldecanoic acid.

Molecular Properties

Compound Name2-amino-10-methylsulfanyldecanoic acid
PubChem CID25010766
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-amino-10-methylsulfanyldecanoic acid
SMILESCSCCCCCCCCC(N)C(=O)O
InChIInChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyXVGBKWQWYRNGDG-UHFFFAOYSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-10-methylsulfanyldecanoic acid?
The IUPAC name of 2-amino-10-methylsulfanyldecanoic acid (CID 25010766) is 2-amino-10-methylsulfanyldecanoic acid.
What is the SMILES notation for 2-amino-10-methylsulfanyldecanoic acid?
The canonical SMILES for 2-amino-10-methylsulfanyldecanoic acid is CSCCCCCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-10-methylsulfanyldecanoic acid?
The InChIKey is XVGBKWQWYRNGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-10-methylsulfanyldecanoic acid?
2-amino-10-methylsulfanyldecanoic acid has a molecular weight of 233.38 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-10-methylsulfanyldecanoic acid is sourced from PubChem (CID 25010766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).