(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid

C8H13NO2 — CID 142022039

IUPAC(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid
SMILESC/C(N)=C\C=C(/C)CC(=O)O
InChIInChI=1S/C8H13NO2/c1-6(5-8(10)11)3-4-7(2)9/h3-4H,5,9H2,1-2H3,(H,10,11)/b6-3+,7-4+
InChIKeyHLINLBPTQQHBTQ-XOKGJFMYSA-N
MW155.20 g/mol
LogP1.27
Rot. Bonds3

About (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid

(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid (PubChem CID 142022039) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid.

Molecular Properties

Compound Name(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid
PubChem CID142022039
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid
SMILESC/C(N)=C\C=C(/C)CC(=O)O
InChIInChI=1S/C8H13NO2/c1-6(5-8(10)11)3-4-7(2)9/h3-4H,5,9H2,1-2H3,(H,10,11)/b6-3+,7-4+
InChIKeyHLINLBPTQQHBTQ-XOKGJFMYSA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.27
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 (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid?
The IUPAC name of (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid (CID 142022039) is (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid.
What is the SMILES notation for (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid?
The canonical SMILES for (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid is C/C(N)=C\C=C(/C)CC(=O)O.
What is the InChIKey of (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid?
The InChIKey is HLINLBPTQQHBTQ-XOKGJFMYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(5-8(10)11)3-4-7(2)9/h3-4H,5,9H2,1-2H3,(H,10,11)/b6-3+,7-4+.
What are the key properties of (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid?
(3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-amino-3-methylhepta-3,5-dienoic acid is sourced from PubChem (CID 142022039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).