3-amino-6-ethyl-4-methylnonanoic acid

C12H25NO2 — CID 11390279

IUPAC3-amino-6-ethyl-4-methylnonanoic acid
SMILESCCCC(CC)CC(C)C(N)CC(=O)O
InChIInChI=1S/C12H25NO2/c1-4-6-10(5-2)7-9(3)11(13)8-12(14)15/h9-11H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOWQYCFWDGOHMFB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.64
Rot. Bonds8

About 3-amino-6-ethyl-4-methylnonanoic acid

3-amino-6-ethyl-4-methylnonanoic acid (PubChem CID 11390279) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-amino-6-ethyl-4-methylnonanoic acid.

Molecular Properties

Compound Name3-amino-6-ethyl-4-methylnonanoic acid
PubChem CID11390279
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-amino-6-ethyl-4-methylnonanoic acid
SMILESCCCC(CC)CC(C)C(N)CC(=O)O
InChIInChI=1S/C12H25NO2/c1-4-6-10(5-2)7-9(3)11(13)8-12(14)15/h9-11H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOWQYCFWDGOHMFB-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-4-methylnonanoic acid?
The IUPAC name of 3-amino-6-ethyl-4-methylnonanoic acid (CID 11390279) is 3-amino-6-ethyl-4-methylnonanoic acid.
What is the SMILES notation for 3-amino-6-ethyl-4-methylnonanoic acid?
The canonical SMILES for 3-amino-6-ethyl-4-methylnonanoic acid is CCCC(CC)CC(C)C(N)CC(=O)O.
What is the InChIKey of 3-amino-6-ethyl-4-methylnonanoic acid?
The InChIKey is OWQYCFWDGOHMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-10(5-2)7-9(3)11(13)8-12(14)15/h9-11H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-6-ethyl-4-methylnonanoic acid?
3-amino-6-ethyl-4-methylnonanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-4-methylnonanoic acid is sourced from PubChem (CID 11390279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).