methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate

C8H16NO6P — CID 58805775

IUPACmethyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(C)CCOP(=O)(O)O)C(=O)OC
InChIInChI=1S/C8H16NO6P/c1-7(8(10)14-3)6-9(2)4-5-15-16(11,12)13/h1,4-6H2,2-3H3,(H2,11,12,13)
InChIKeySFUPGXTVPWRZOF-UHFFFAOYSA-N
MW253.19 g/mol
LogP-0.24
Rot. Bonds7

About methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate

methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate (PubChem CID 58805775) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
PubChem CID58805775
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Namemethyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(C)CCOP(=O)(O)O)C(=O)OC
InChIInChI=1S/C8H16NO6P/c1-7(8(10)14-3)6-9(2)4-5-15-16(11,12)13/h1,4-6H2,2-3H3,(H2,11,12,13)
InChIKeySFUPGXTVPWRZOF-UHFFFAOYSA-N
XLogP-0.24
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methacryloyloxyethyl phosphorylcholine
CID 128934
{2-[(2-Methylprop-2-enoyl)oxy]ethoxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
CID 128935
Trimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethyl-oxophosphaniumyl]oxyethyl]azanium
CID 18510010
2-[Hydroxy-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phosphoryl]oxyethyl-trimethylazanium
CID 87080064
Methacrylate phosphocholine
CID 141382787
2-(Diethylamino)ethyl 2-methylprop-2-enoate;phosphoric acid
CID 162330317
2-[2-Fluoroethoxy(hydroxy)phosphoryl]oxyethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 161272786
2-[Hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-trimethylazanium chloride
CID 11056654
Dihydrogen phosphate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18504361
2-[Diethyl(methyl)azaniumyl]ethyl 2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 19378235
Diethyl-[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl]-methylazanium
CID 19378236
2-(2-Methylprop-2-enoyloxy)ethyl 2-(triethylazaniumyl)ethyl phosphate
CID 19378249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate (CID 58805775) is methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate is C=C(CN(C)CCOP(=O)(O)O)C(=O)OC.
What is the InChIKey of methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate?
The InChIKey is SFUPGXTVPWRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-7(8(10)14-3)6-9(2)4-5-15-16(11,12)13/h1,4-6H2,2-3H3,(H2,11,12,13).
What are the key properties of methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate?
methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate has a molecular weight of 253.19 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 58805775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).