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

C14H24FNO4 — CID 154008981

IUPAC(2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCC(F)CC[C@@H](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)/t10?,11-/m1/s1
InChIKeyJPDVQWXZHWAEMY-RRKGBCIJSA-N
MW289.35 g/mol
LogP3.05
Rot. Bonds8

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

(2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (PubChem CID 154008981) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.

Molecular Properties

Compound Name(2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
PubChem CID154008981
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name(2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC=CCCC(F)CC[C@@H](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)/t10?,11-/m1/s1
InChIKeyJPDVQWXZHWAEMY-RRKGBCIJSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The IUPAC name of (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (CID 154008981) is (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.
What is the SMILES notation for (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The canonical SMILES for (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is C=CCCC(F)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The InChIKey is JPDVQWXZHWAEMY-RRKGBCIJSA-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)/t10?,11-/m1/s1.
What are the key properties of (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
(2R)-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 (2R)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is sourced from PubChem (CID 154008981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).