2-amino-9-methylsulfanylnonanoic acid

C10H21NO2S — CID 25010767

IUPAC2-amino-9-methylsulfanylnonanoic acid
SMILESCSCCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGYYOKOIBHIWNHE-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.10
Rot. Bonds9

About 2-amino-9-methylsulfanylnonanoic acid

2-amino-9-methylsulfanylnonanoic acid (PubChem CID 25010767) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-amino-9-methylsulfanylnonanoic acid.

Molecular Properties

Compound Name2-amino-9-methylsulfanylnonanoic acid
PubChem CID25010767
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-amino-9-methylsulfanylnonanoic acid
SMILESCSCCCCCCCC(N)C(=O)O
InChIInChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyGYYOKOIBHIWNHE-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.10
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-9-methylsulfanylnonanoic acid?
The IUPAC name of 2-amino-9-methylsulfanylnonanoic acid (CID 25010767) is 2-amino-9-methylsulfanylnonanoic acid.
What is the SMILES notation for 2-amino-9-methylsulfanylnonanoic acid?
The canonical SMILES for 2-amino-9-methylsulfanylnonanoic acid is CSCCCCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-9-methylsulfanylnonanoic acid?
The InChIKey is GYYOKOIBHIWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-9-methylsulfanylnonanoic acid?
2-amino-9-methylsulfanylnonanoic acid has a molecular weight of 219.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methylsulfanylnonanoic acid is sourced from PubChem (CID 25010767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).