2-amino-2-ethenylnon-8-enoic acid

C11H19NO2 — CID 156562405

IUPAC2-amino-2-ethenylnon-8-enoic acid
SMILESC=CCCCCCC(N)(C=C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3-4H,1-2,5-9,12H2,(H,13,14)
InChIKeyUATBSRHSINAWOM-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.09
Rot. Bonds8

About 2-amino-2-ethenylnon-8-enoic acid

2-amino-2-ethenylnon-8-enoic acid (PubChem CID 156562405) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-2-ethenylnon-8-enoic acid.

Molecular Properties

Compound Name2-amino-2-ethenylnon-8-enoic acid
PubChem CID156562405
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-amino-2-ethenylnon-8-enoic acid
SMILESC=CCCCCCC(N)(C=C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3-4H,1-2,5-9,12H2,(H,13,14)
InChIKeyUATBSRHSINAWOM-UHFFFAOYSA-N
XLogP2.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyldec-9-enoic acid
CID 76833646
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
(2S)-2-amino-2-methyldec-9-enoic acid;(2R)-2-amino-2-methyldec-9-enoic acid;(2S)-2-amino-2-methylhept-6-enoic acid;(2R)-2-amino-2-methylhept-6-enoic acid;2-amino-2-pent-4-enylhept-6-enoic acid;methane
CID 167617525
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-ethyl-2-fluoronon-8-enoic acid
CID 166852620
2-amino-2-(sulfanylmethyl)but-3-enoic acid
CID 175037122
2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid
CID 68746440
2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethenylnon-8-enoic acid?
The IUPAC name of 2-amino-2-ethenylnon-8-enoic acid (CID 156562405) is 2-amino-2-ethenylnon-8-enoic acid.
What is the SMILES notation for 2-amino-2-ethenylnon-8-enoic acid?
The canonical SMILES for 2-amino-2-ethenylnon-8-enoic acid is C=CCCCCCC(N)(C=C)C(=O)O.
What is the InChIKey of 2-amino-2-ethenylnon-8-enoic acid?
The InChIKey is UATBSRHSINAWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3-4H,1-2,5-9,12H2,(H,13,14).
What are the key properties of 2-amino-2-ethenylnon-8-enoic acid?
2-amino-2-ethenylnon-8-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethenylnon-8-enoic acid is sourced from PubChem (CID 156562405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).