ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate

C14H26NO6P — CID 132993013

IUPACethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate
SMILESCCOC(=O)C1(C)OC(C)=C(N)C1CP(=O)(OCC)OCC
InChIInChI=1S/C14H26NO6P/c1-6-18-13(16)14(5)11(12(15)10(4)21-14)9-22(17,19-7-2)20-8-3/h11H,6-9,15H2,1-5H3
InChIKeyJLMWEZKSPUINCB-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.41
Rot. Bonds8

About ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate

ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate (PubChem CID 132993013) has the molecular formula C14H26NO6P and a molecular weight of 335.34 g/mol. Its IUPAC name is ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate
PubChem CID132993013
Molecular FormulaC14H26NO6P
Molecular Weight335.34 g/mol
Exact Mass335.15
IUPAC Nameethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate
SMILESCCOC(=O)C1(C)OC(C)=C(N)C1CP(=O)(OCC)OCC
InChIInChI=1S/C14H26NO6P/c1-6-18-13(16)14(5)11(12(15)10(4)21-14)9-22(17,19-7-2)20-8-3/h11H,6-9,15H2,1-5H3
InChIKeyJLMWEZKSPUINCB-UHFFFAOYSA-N
XLogP2.41
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate (CID 132993013) is ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate is CCOC(=O)C1(C)OC(C)=C(N)C1CP(=O)(OCC)OCC.
What is the InChIKey of ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate?
The InChIKey is JLMWEZKSPUINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26NO6P/c1-6-18-13(16)14(5)11(12(15)10(4)21-14)9-22(17,19-7-2)20-8-3/h11H,6-9,15H2,1-5H3.
What are the key properties of ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate?
ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate has a molecular weight of 335.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(diethoxyphosphorylmethyl)-2,5-dimethyl-3H-furan-2-carboxylate is sourced from PubChem (CID 132993013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).