2-amino-8-methyldeca-4,6-dienoic acid

C11H19NO2 — CID 86256097

IUPAC2-amino-8-methyldeca-4,6-dienoic acid
SMILESCCC(C)C=CC=CCC(N)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h4-7,9-10H,3,8,12H2,1-2H3,(H,13,14)
InChIKeyJKGMWERDMUJXSH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.95
Rot. Bonds6

About 2-amino-8-methyldeca-4,6-dienoic acid

2-amino-8-methyldeca-4,6-dienoic acid (PubChem CID 86256097) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-8-methyldeca-4,6-dienoic acid.

Molecular Properties

Compound Name2-amino-8-methyldeca-4,6-dienoic acid
PubChem CID86256097
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-8-methyldeca-4,6-dienoic acid
SMILESCCC(C)C=CC=CCC(N)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h4-7,9-10H,3,8,12H2,1-2H3,(H,13,14)
InChIKeyJKGMWERDMUJXSH-UHFFFAOYSA-N
XLogP1.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyldeca-4,6-dienoic acid?
The IUPAC name of 2-amino-8-methyldeca-4,6-dienoic acid (CID 86256097) is 2-amino-8-methyldeca-4,6-dienoic acid.
What is the SMILES notation for 2-amino-8-methyldeca-4,6-dienoic acid?
The canonical SMILES for 2-amino-8-methyldeca-4,6-dienoic acid is CCC(C)C=CC=CCC(N)C(=O)O.
What is the InChIKey of 2-amino-8-methyldeca-4,6-dienoic acid?
The InChIKey is JKGMWERDMUJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9(2)7-5-4-6-8-10(12)11(13)14/h4-7,9-10H,3,8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-8-methyldeca-4,6-dienoic acid?
2-amino-8-methyldeca-4,6-dienoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyldeca-4,6-dienoic acid is sourced from PubChem (CID 86256097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).