5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

C14H24FNO4 — CID 58801166

IUPAC5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCC(F)CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24FNO4/c1-5-6-7-10(15)8-9-11(12(17)18)16-13(19)20-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyJPDVQWXZHWAEMY-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds8

About 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (PubChem CID 58801166) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
PubChem CID58801166
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCC(F)CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H24FNO4/c1-5-6-7-10(15)8-9-11(12(17)18)16-13(19)20-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyJPDVQWXZHWAEMY-UHFFFAOYSA-N
XLogP3.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(((tert-butoxy)carbonyl)amino)hex-5-enoic acid
CID 20765220
(2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-hexenoic acid
CID 11075189
2-{[(Tert-butoxy)carbonyl]amino}decanoic acid
CID 14599888
2-(Boc-amino)oct-7-enoic acid
CID 22556529
8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CID 66704134
2-Acetamidonon-8-enoic acid
CID 16655536
(2S)-2-(Boc-amino)-6-heptenoic acid
CID 11172571
(2S)-N-Boc-amino-non-8-enoic acid
CID 11507316
(S)-2-Cyclopentyloxycarbonylamino-non-8-enoic acid
CID 11961640
2-[(Tert-butoxycarbonyl)amino]octanoic acid
CID 21778993
(S)-2-(Boc-amino)octanoic acid
CID 25131811
(2S)-3-cyclohexa-1,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 164709668

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (CID 58801166) is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is C=CCCC(F)CCC(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The InChIKey is JPDVQWXZHWAEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-5-6-7-10(15)8-9-11(12(17)18)16-13(19)20-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,19)(H,17,18).
What are the key properties of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid has a molecular weight of 289.35 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is sourced from PubChem (CID 58801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).