methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate

C15H26FNO4 — CID 132580030

IUPACmethyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate
SMILESCOC(=O)C/C=C(\F)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26FNO4/c1-10(2)9-12(11(16)7-8-13(18)20-6)17-14(19)21-15(3,4)5/h7,10,12H,8-9H2,1-6H3,(H,17,19)/b11-7-
InChIKeySXCRCXZFZTWAGC-XFFZJAGNSA-N
MW303.37 g/mol
LogP3.34
Rot. Bonds6

About methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate

methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate (PubChem CID 132580030) has the molecular formula C15H26FNO4 and a molecular weight of 303.37 g/mol. Its IUPAC name is methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate
PubChem CID132580030
Molecular FormulaC15H26FNO4
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Namemethyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate
SMILESCOC(=O)C/C=C(\F)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26FNO4/c1-10(2)9-12(11(16)7-8-13(18)20-6)17-14(19)21-15(3,4)5/h7,10,12H,8-9H2,1-6H3,(H,17,19)/b11-7-
InChIKeySXCRCXZFZTWAGC-XFFZJAGNSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate with MolForge

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Related Compounds

methyl (Z)-4-fluoro-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoate
CID 132580029
tert-butyl N-[(3R)-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 10776618
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 16682082
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
tert-butyl N-(2-methyl-5-oxoheptan-4-yl)carbamate
CID 123558492
methyl (E)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]but-2-enoate
CID 14303212
methyl (2S)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 86710444
2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 90035082
tert-butyl N-(1-diazo-5-methyl-2-oxohexan-3-yl)carbamate
CID 3633983

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate?
The IUPAC name of methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate (CID 132580030) is methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate.
What is the SMILES notation for methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate?
The canonical SMILES for methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate is COC(=O)C/C=C(\F)C(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate?
The InChIKey is SXCRCXZFZTWAGC-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H26FNO4/c1-10(2)9-12(11(16)7-8-13(18)20-6)17-14(19)21-15(3,4)5/h7,10,12H,8-9H2,1-6H3,(H,17,19)/b11-7-.
What are the key properties of methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate?
methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate has a molecular weight of 303.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-fluoro-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]oct-3-enoate is sourced from PubChem (CID 132580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).