[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate

C15H24FN3O4 — CID 144869907

IUPAC[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESC/N=C(N)/C=C\N(C=O)C1OC(COC(=O)C(C)C)CC1(C)F
InChIInChI=1S/C15H24FN3O4/c1-10(2)13(21)22-8-11-7-15(3,16)14(23-11)19(9-20)6-5-12(17)18-4/h5-6,9-11,14H,7-8H2,1-4H3,(H2,17,18)/b6-5-
InChIKeyLPFRHZNHKCQVAD-WAYWQWQTSA-N
MW329.37 g/mol
LogP0.99
Rot. Bonds7

About [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate

[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 144869907) has the molecular formula C15H24FN3O4 and a molecular weight of 329.37 g/mol. Its IUPAC name is [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate
PubChem CID144869907
Molecular FormulaC15H24FN3O4
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate
SMILESC/N=C(N)/C=C\N(C=O)C1OC(COC(=O)C(C)C)CC1(C)F
InChIInChI=1S/C15H24FN3O4/c1-10(2)13(21)22-8-11-7-15(3,16)14(23-11)19(9-20)6-5-12(17)18-4/h5-6,9-11,14H,7-8H2,1-4H3,(H2,17,18)/b6-5-
InChIKeyLPFRHZNHKCQVAD-WAYWQWQTSA-N
XLogP0.99
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate (CID 144869907) is [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate is C/N=C(N)/C=C\N(C=O)C1OC(COC(=O)C(C)C)CC1(C)F.
What is the InChIKey of [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate?
The InChIKey is LPFRHZNHKCQVAD-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H24FN3O4/c1-10(2)13(21)22-8-11-7-15(3,16)14(23-11)19(9-20)6-5-12(17)18-4/h5-6,9-11,14H,7-8H2,1-4H3,(H2,17,18)/b6-5-.
What are the key properties of [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate?
[5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 329.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(Z)-3-amino-3-methyliminoprop-1-enyl]-formylamino]-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 144869907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).