2-(aminooxymethyl)oct-2-enoic acid

C9H17NO3 — CID 150263469

IUPAC2-(aminooxymethyl)oct-2-enoic acid
SMILESCCCCCC=C(CON)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-6-8(7-13-10)9(11)12/h6H,2-5,7,10H2,1H3,(H,11,12)
InChIKeyGCAUFOPIFIXQGY-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.47
Rot. Bonds7

About 2-(aminooxymethyl)oct-2-enoic acid

2-(aminooxymethyl)oct-2-enoic acid (PubChem CID 150263469) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(aminooxymethyl)oct-2-enoic acid.

Molecular Properties

Compound Name2-(aminooxymethyl)oct-2-enoic acid
PubChem CID150263469
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(aminooxymethyl)oct-2-enoic acid
SMILESCCCCCC=C(CON)C(=O)O
InChIInChI=1S/C9H17NO3/c1-2-3-4-5-6-8(7-13-10)9(11)12/h6H,2-5,7,10H2,1H3,(H,11,12)
InChIKeyGCAUFOPIFIXQGY-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(phosphonooxymethyl)henicos-2-enoic acid
CID 56986308
2-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octadecylidenebutanedioic acid
CID 141239026
ethyl dec-2-enoate;2-ethyldec-2-enoic acid
CID 173052455
(E)-2-(2-methoxyethyl)dec-2-enoic acid
CID 174791406
2-hexylidenepropanedioic acid
CID 21274064
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-nonadecylidenepropanedioic acid
CID 19832661
butyl acetate;2-methylhenicos-2-enoic acid
CID 174757296
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-methylnon-2-enoic acid
CID 19098031

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)oct-2-enoic acid?
The IUPAC name of 2-(aminooxymethyl)oct-2-enoic acid (CID 150263469) is 2-(aminooxymethyl)oct-2-enoic acid.
What is the SMILES notation for 2-(aminooxymethyl)oct-2-enoic acid?
The canonical SMILES for 2-(aminooxymethyl)oct-2-enoic acid is CCCCCC=C(CON)C(=O)O.
What is the InChIKey of 2-(aminooxymethyl)oct-2-enoic acid?
The InChIKey is GCAUFOPIFIXQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-4-5-6-8(7-13-10)9(11)12/h6H,2-5,7,10H2,1H3,(H,11,12).
What are the key properties of 2-(aminooxymethyl)oct-2-enoic acid?
2-(aminooxymethyl)oct-2-enoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)oct-2-enoic acid is sourced from PubChem (CID 150263469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).