2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate

C8H18NO5P — CID 143546069

IUPAC2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate
SMILESCOP(=O)(OC/C=C/O)OCCN(C)C
InChIInChI=1S/C8H18NO5P/c1-9(2)5-8-14-15(11,12-3)13-7-4-6-10/h4,6,10H,5,7-8H2,1-3H3/b6-4+
InChIKeyRHDBOACYZSWPEL-GQCTYLIASA-N
MW239.21 g/mol
LogP1.41
Rot. Bonds8

About 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate

2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate (PubChem CID 143546069) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate
PubChem CID143546069
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate
SMILESCOP(=O)(OC/C=C/O)OCCN(C)C
InChIInChI=1S/C8H18NO5P/c1-9(2)5-8-14-15(11,12-3)13-7-4-6-10/h4,6,10H,5,7-8H2,1-3H3/b6-4+
InChIKeyRHDBOACYZSWPEL-GQCTYLIASA-N
XLogP1.41
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl phosphate
CID 121405453
1-O-[3-[2-(dimethylamino)ethoxy-methoxyphosphoryl]oxy-2-hydroxypropyl] 4-O-fluoro butanedioate
CID 142856642
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
2-(dimethylamino)ethyl ditetradecyl phosphate
CID 170237074
methanesulfonic acid;2-methoxy-N,N-dimethylethanamine
CID 174574685
[(2R)-3-[2-(dimethylamino)ethoxy-methoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 89261482
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
butyl 4-hydroxybutyl methyl phosphate
CID 71322599
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
N-[2-[2,3-diethoxypropoxy(methoxy)phosphoryl]oxyethyl]-N-dimethylboronamidic acid
CID 22946990
dimethyl 3-sulfanylpropyl phosphate
CID 88756184
hydroxy dimethyl phosphate
CID 126582959

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate?
The IUPAC name of 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate (CID 143546069) is 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate.
What is the SMILES notation for 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate?
The canonical SMILES for 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate is COP(=O)(OC/C=C/O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate?
The InChIKey is RHDBOACYZSWPEL-GQCTYLIASA-N. The full InChI is InChI=1S/C8H18NO5P/c1-9(2)5-8-14-15(11,12-3)13-7-4-6-10/h4,6,10H,5,7-8H2,1-3H3/b6-4+.
What are the key properties of 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate?
2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate has a molecular weight of 239.21 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl [(E)-3-hydroxyprop-2-enyl] methyl phosphate is sourced from PubChem (CID 143546069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).