methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate

C14H24FNO4 — CID 132580029

IUPACmethyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate
SMILESCOC(=O)C/C=C(\F)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H24FNO4/c1-9(2)12(10(15)7-8-11(17)19-6)16-13(18)20-14(3,4)5/h7,9,12H,8H2,1-6H3,(H,16,18)/b10-7-
InChIKeyFTDINKPDKSVJPV-YFHOEESVSA-N
MW289.35 g/mol
LogP2.95
Rot. Bonds5

About methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate

methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate (PubChem CID 132580029) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate
PubChem CID132580029
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Namemethyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate
SMILESCOC(=O)C/C=C(\F)C(NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H24FNO4/c1-9(2)12(10(15)7-8-11(17)19-6)16-13(18)20-14(3,4)5/h7,9,12H,8H2,1-6H3,(H,16,18)/b10-7-
InChIKeyFTDINKPDKSVJPV-YFHOEESVSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate
CID 132580030
methyl 5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxohexanoate
CID 72761181
methyl (2S)-1-[(Z,5R)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoyl]pyrrolidine-2-carboxylate
CID 42640658
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
tert-butyl N-[(3R)-2-methyl-4-oxohexan-3-yl]carbamate
CID 58418547
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
methyl (E,5S)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohept-2-enoate
CID 10613136
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 74082031
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
methyl (2S)-2-[[(Z,5S)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoyl]amino]-3-methylbutanoate
CID 42640662
tert-butyl N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]carbamate
CID 10870883

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate?
The IUPAC name of methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate (CID 132580029) is methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate.
What is the SMILES notation for methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate?
The canonical SMILES for methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate is COC(=O)C/C=C(\F)C(NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate?
The InChIKey is FTDINKPDKSVJPV-YFHOEESVSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-9(2)12(10(15)7-8-11(17)19-6)16-13(18)20-14(3,4)5/h7,9,12H,8H2,1-6H3,(H,16,18)/b10-7-.
What are the key properties of methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate?
methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate has a molecular weight of 289.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate is sourced from PubChem (CID 132580029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).