methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate

C11H17NO2 — CID 143356405

IUPACmethyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
SMILESC=C/C=C\C=C/C(C)C(N)C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-5-6-7-8-9(2)10(12)11(13)14-3/h4-10H,1,12H2,2-3H3/b6-5-,8-7-
InChIKeyMIUFEOWLZSYYGQ-ISTTXYCBSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds5

About methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate

methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate (PubChem CID 143356405) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate.

Molecular Properties

Compound Namemethyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
PubChem CID143356405
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate
SMILESC=C/C=C\C=C/C(C)C(N)C(=O)OC
InChIInChI=1S/C11H17NO2/c1-4-5-6-7-8-9(2)10(12)11(13)14-3/h4-10H,1,12H2,2-3H3/b6-5-,8-7-
InChIKeyMIUFEOWLZSYYGQ-ISTTXYCBSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate?
The IUPAC name of methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate (CID 143356405) is methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate.
What is the SMILES notation for methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate?
The canonical SMILES for methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate is C=C/C=C\C=C/C(C)C(N)C(=O)OC.
What is the InChIKey of methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate?
The InChIKey is MIUFEOWLZSYYGQ-ISTTXYCBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-5-6-7-8-9(2)10(12)11(13)14-3/h4-10H,1,12H2,2-3H3/b6-5-,8-7-.
What are the key properties of methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate?
methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate has a molecular weight of 195.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z,6Z)-2-amino-3-methylnona-4,6,8-trienoate is sourced from PubChem (CID 143356405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).