(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate

C11H21N2O6P — CID 122661617

IUPAC(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCNC(=O)NCP(=O)(OCC)OCC
InChIInChI=1S/C11H21N2O6P/c1-5-18-20(16,19-6-2)8-13-11(15)12-7-17-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H2,12,13,15)
InChIKeyLAYJHUXOFVAOKB-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.59
Rot. Bonds9

About (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate

(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate (PubChem CID 122661617) has the molecular formula C11H21N2O6P and a molecular weight of 308.27 g/mol. Its IUPAC name is (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
PubChem CID122661617
Molecular FormulaC11H21N2O6P
Molecular Weight308.27 g/mol
Exact Mass308.11
IUPAC Name(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCNC(=O)NCP(=O)(OCC)OCC
InChIInChI=1S/C11H21N2O6P/c1-5-18-20(16,19-6-2)8-13-11(15)12-7-17-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H2,12,13,15)
InChIKeyLAYJHUXOFVAOKB-UHFFFAOYSA-N
XLogP1.59
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-diethoxyphosphoryl-2-hydroxypropyl) 2-methylprop-2-enoate
CID 90122411
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736
ethyl 2-methylprop-2-enoate
CID 130475774
(3-diethoxyphosphoryloxy-2-hydroxypropyl) 2-methylprop-2-enoate
CID 101236796
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
1-(diethoxyphosphorylmethyl)-3-phenylurea
CID 2301679
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
2-(6-diethylphosphoryloxyhexylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 174905152
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312

Frequently Asked Questions

What is the IUPAC name of (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate?
The IUPAC name of (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate (CID 122661617) is (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate?
The canonical SMILES for (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCNC(=O)NCP(=O)(OCC)OCC.
What is the InChIKey of (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate?
The InChIKey is LAYJHUXOFVAOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O6P/c1-5-18-20(16,19-6-2)8-13-11(15)12-7-17-10(14)9(3)4/h3,5-8H2,1-2,4H3,(H2,12,13,15).
What are the key properties of (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate?
(diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate has a molecular weight of 308.27 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (diethoxyphosphorylmethylcarbamoylamino)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 122661617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).