6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid

C15H24FNO3 — CID 146246695

IUPAC6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C15H24FNO3/c16-15(10-6-2-1-3-7-11-15)14(20)17-12-8-4-5-9-13(18)19/h6,10H,1-5,7-9,11-12H2,(H,17,20)(H,18,19)/b10-6-
InChIKeyRFXWGEUUGZWECB-POHAHGRESA-N
MW285.36 g/mol
LogP2.98
Rot. Bonds7

About 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid

6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid (PubChem CID 146246695) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid
PubChem CID146246695
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1(F)/C=C\CCCCC1
InChIInChI=1S/C15H24FNO3/c16-15(10-6-2-1-3-7-11-15)14(20)17-12-8-4-5-9-13(18)19/h6,10H,1-5,7-9,11-12H2,(H,17,20)(H,18,19)/b10-6-
InChIKeyRFXWGEUUGZWECB-POHAHGRESA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.98
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

13-n-Heptanamidotridec-8(Z)-enoic acid
CID 44235171
14-(n-Hexylamino)-14-oxotetradec-8(Z)-enoic acid
CID 44235175
(Z)-17-oxo-17-(propylamino)heptadec-11-enoic acid
CID 46852952
(Z)-16-(butylamino)-16-oxohexadec-11-enoic acid
CID 46853121
(Z)-16-(butanoylamino)hexadec-11-enoic acid
CID 53309110
(2R)-2-cyclohexyl-3-(cyclopent-3-ene-1-carbonylamino)propanoic acid
CID 164640817
(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
CID 134194605
6-(Cyclopent-3-ene-1-carbonylamino)-2-(2,2,2-trifluoroethyl)hexanoic acid
CID 155957152
rac-(1R,8S)-8-(2,2,2-trifluoroacetamido)cyclooct-4-ene-1-carboxylic acid
CID 165907246
6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid
CID 10971297
6-[[2-(Cyclopenten-1-yl)acetyl]amino]hexanoic acid
CID 54368577
13-(Heptanoylamino)tridec-8-enoic acid
CID 74960045

Frequently Asked Questions

What is the IUPAC name of 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid (CID 146246695) is 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1(F)/C=C\CCCCC1.
What is the InChIKey of 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid?
The InChIKey is RFXWGEUUGZWECB-POHAHGRESA-N. The full InChI is InChI=1S/C15H24FNO3/c16-15(10-6-2-1-3-7-11-15)14(20)17-12-8-4-5-9-13(18)19/h6,10H,1-5,7-9,11-12H2,(H,17,20)(H,18,19)/b10-6-.
What are the key properties of 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid?
6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid has a molecular weight of 285.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2Z)-1-fluorocyclooct-2-ene-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 146246695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).