(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide

C11H18FN2O5P — CID 144683693

IUPAC(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)C1OC(COP)C(O)C1(C)F
InChIInChI=1S/C11H18FN2O5P/c1-11(12)9(17)7(5-18-20)19-10(11)14(6-15)4-3-8(16)13-2/h3-4,6-7,9-10,17H,5,20H2,1-2H3,(H,13,16)/b4-3-
InChIKeyAZXPOQVWCNVNPL-ARJAWSKDSA-N
MW308.25 g/mol
LogP-0.67
Rot. Bonds6

About (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide

(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide (PubChem CID 144683693) has the molecular formula C11H18FN2O5P and a molecular weight of 308.25 g/mol. Its IUPAC name is (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide
PubChem CID144683693
Molecular FormulaC11H18FN2O5P
Molecular Weight308.25 g/mol
Exact Mass308.09
IUPAC Name(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)C1OC(COP)C(O)C1(C)F
InChIInChI=1S/C11H18FN2O5P/c1-11(12)9(17)7(5-18-20)19-10(11)14(6-15)4-3-8(16)13-2/h3-4,6-7,9-10,17H,5,20H2,1-2H3,(H,13,16)/b4-3-
InChIKeyAZXPOQVWCNVNPL-ARJAWSKDSA-N
XLogP-0.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide (CID 144683693) is (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide is CNC(=O)/C=C\N(C=O)C1OC(COP)C(O)C1(C)F.
What is the InChIKey of (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide?
The InChIKey is AZXPOQVWCNVNPL-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H18FN2O5P/c1-11(12)9(17)7(5-18-20)19-10(11)14(6-15)4-3-8(16)13-2/h3-4,6-7,9-10,17H,5,20H2,1-2H3,(H,13,16)/b4-3-.
What are the key properties of (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide?
(Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide has a molecular weight of 308.25 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[3-fluoro-4-hydroxy-3-methyl-5-(phosphanyloxymethyl)oxolan-2-yl]-formylamino]-N-methylprop-2-enamide is sourced from PubChem (CID 144683693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).