8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid

C18H31NO4 — CID 163617790

IUPAC8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NOCC1CC/C=C\CCCC1
InChIInChI=1S/C18H31NO4/c20-17(13-9-5-6-10-14-18(21)22)19-23-15-16-11-7-3-1-2-4-8-12-16/h1,3,16H,2,4-15H2,(H,19,20)(H,21,22)/b3-1-
InChIKeyHLLOPPRWPPIZCD-IWQZZHSRSA-N
MW325.45 g/mol
LogP3.99
Rot. Bonds10

About 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid

8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid (PubChem CID 163617790) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid.

Molecular Properties

Compound Name8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid
PubChem CID163617790
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NOCC1CC/C=C\CCCC1
InChIInChI=1S/C18H31NO4/c20-17(13-9-5-6-10-14-18(21)22)19-23-15-16-11-7-3-1-2-4-8-12-16/h1,3,16H,2,4-15H2,(H,19,20)(H,21,22)/b3-1-
InChIKeyHLLOPPRWPPIZCD-IWQZZHSRSA-N
XLogP3.99
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
cyclohexene;bis(nonanoic acid)
CID 159857878
5-(cyclopentyloxyamino)pentanoic acid
CID 103262101
8-cyclobutyloctanoic acid
CID 72551210
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336
cyclopentyl 2-[[4-[[8-(cycloheptylmethoxyamino)-8-oxooctanoyl]amino]phenyl]methyl-methoxyamino]acetate
CID 143322108
cyclohexene;6-methylheptanoic acid
CID 129275318

Frequently Asked Questions

What is the IUPAC name of 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid?
The IUPAC name of 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid (CID 163617790) is 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid.
What is the SMILES notation for 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid?
The canonical SMILES for 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)NOCC1CC/C=C\CCCC1.
What is the InChIKey of 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid?
The InChIKey is HLLOPPRWPPIZCD-IWQZZHSRSA-N. The full InChI is InChI=1S/C18H31NO4/c20-17(13-9-5-6-10-14-18(21)22)19-23-15-16-11-7-3-1-2-4-8-12-16/h1,3,16H,2,4-15H2,(H,19,20)(H,21,22)/b3-1-.
What are the key properties of 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid?
8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid has a molecular weight of 325.45 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(4Z)-cyclonon-4-en-1-yl]methoxyamino]-8-oxooctanoic acid is sourced from PubChem (CID 163617790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).