2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate

C11H25NO7P+ — CID 175472908

IUPAC2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OP(=O)(O)O.C[N+](C)(C)CCO
InChIInChI=1S/C6H11O6P.C5H14NO/c1-4(2)6(7)11-5(3)12-13(8,9)10;1-6(2,3)4-5-7/h5H,1H2,2-3H3,(H2,8,9,10);7H,4-5H2,1-3H3/q;+1
InChIKeyCALJBVULNUEUHP-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.25
Rot. Bonds6

About 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate

2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate (PubChem CID 175472908) has the molecular formula C11H25NO7P+ and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate
PubChem CID175472908
Molecular FormulaC11H25NO7P+
Molecular Weight314.30 g/mol
Exact Mass314.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OP(=O)(O)O.C[N+](C)(C)CCO
InChIInChI=1S/C6H11O6P.C5H14NO/c1-4(2)6(7)11-5(3)12-13(8,9)10;1-6(2,3)4-5-7/h5H,1H2,2-3H3,(H2,8,9,10);7H,4-5H2,1-3H3/q;+1
InChIKeyCALJBVULNUEUHP-UHFFFAOYSA-N
XLogP0.25
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphoryl]oxyethyl-trimethylazanium
CID 175314160
1-[2-bromoethoxy-[1-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 139653010
trimethyl-[9-(2-methylprop-2-enoyloxy)-3-phosphonooxynonyl]azanium
CID 22608897
trimethyl-[9-(2-methylprop-2-enoyloxy)-4-phosphonooxynonyl]azanium
CID 22608904
1-[1-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 88836722
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
sodium;hydride;2-hydroxyethyl(trimethyl)azanium;phosphoric acid
CID 174491788
[3-hydroxy-1-(2-methylprop-2-enoyloxy)propyl]-trimethylazanium
CID 23178940
1-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 141487666
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
propan-2-yl 2-methylprop-2-enoate
CID 146421311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate (CID 175472908) is 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OP(=O)(O)O.C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate?
The InChIKey is CALJBVULNUEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O6P.C5H14NO/c1-4(2)6(7)11-5(3)12-13(8,9)10;1-6(2,3)4-5-7/h5H,1H2,2-3H3,(H2,8,9,10);7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate?
2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate has a molecular weight of 314.30 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;1-phosphonooxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175472908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).