[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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Related Compounds

N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[(2R)-3,3-difluorooxolan-2-yl]formamide
CID 88964988
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-[3-fluoro-5-(hydroxymethyl)oxolan-2-yl]formamide
CID 144532442
[5-[[(Z)-3-amino-3-formyliminoprop-1-enyl]-methylamino]oxolan-2-yl]methyl 2-methylpropanoate;bis(2-methylpropanoic acid)
CID 144766711
[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyloxolan-2-yl]methyl 2-methylpropanoate
CID 78042386
(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide
CID 144683693
ethane;[5-[methylcarbamoyl-[(Z)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-methylpropanoate
CID 164540235
2-methylpropanoic acid;oxiran-2-ylmethyl 2-methylpropanoate
CID 161434181
[(2S,5R)-5-[(Z)-7-amino-4-methyl-7-(methylcarbamoyloxyimino)-2-oxohept-5-en-3-yl]oxolan-2-yl]methyl 2-methylpropanoate
CID 174077007
(5-bromo-4-fluoro-4-methyloxolan-2-yl)methyl benzoate
CID 123592452
(2S,4R)-2-(2-methylpropanoyloxymethyl)-1,3-dioxolane-4-carboxylic acid
CID 177185446
[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
CID 134285618
[(2S,5R)-5-[[acetyl-[(Z)-3-amino-3-hydroxyiminoprop-1-enyl]amino]methyl]oxolan-2-yl]methyl N-methylcarbamate
CID 174076598

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).