(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid

C10H17NO2 — CID 163683229

IUPAC(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
SMILESCC/C=C\C=C(/C)CC(N)C(=O)O
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h4-6,9H,3,7,11H2,1-2H3,(H,12,13)/b5-4-,8-6+
InChIKeyJMPIMUBZXNRNBD-GSGSLZOQSA-N
MW183.25 g/mol
LogP1.70
Rot. Bonds5

About (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid

(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid (PubChem CID 163683229) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid.

Molecular Properties

Compound Name(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
PubChem CID163683229
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
SMILESCC/C=C\C=C(/C)CC(N)C(=O)O
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h4-6,9H,3,7,11H2,1-2H3,(H,12,13)/b5-4-,8-6+
InChIKeyJMPIMUBZXNRNBD-GSGSLZOQSA-N
XLogP1.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6Z)-2-amino-4-methylnona-4,6,8-trienoic acid;bromomethane
CID 142823781
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
2-aminobutanedioic acid;ethanesulfonic acid
CID 175456066
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
acetyl chloride;2-aminobutanedioic acid
CID 174930999
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
(4Z,6E)-2-amino-4-ethenyl-7-hydroxyocta-4,6-dienoic acid;ethane
CID 163388832

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid?
The IUPAC name of (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid (CID 163683229) is (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid.
What is the SMILES notation for (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid?
The canonical SMILES for (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid is CC/C=C\C=C(/C)CC(N)C(=O)O.
What is the InChIKey of (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid?
The InChIKey is JMPIMUBZXNRNBD-GSGSLZOQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h4-6,9H,3,7,11H2,1-2H3,(H,12,13)/b5-4-,8-6+.
What are the key properties of (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid?
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid is sourced from PubChem (CID 163683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).