2-(2-aminoacetyl)oxyethyl-triphenylphosphanium

C22H23NO2P+ — CID 138521831

IUPAC2-(2-aminoacetyl)oxyethyl-triphenylphosphanium
SMILESNCC(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2P/c23-18-22(24)25-16-17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18,23H2/q+1
InChIKeyQLGJFOUBHBTPQI-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium

2-(2-aminoacetyl)oxyethyl-triphenylphosphanium (PubChem CID 138521831) has the molecular formula C22H23NO2P+ and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(2-aminoacetyl)oxyethyl-triphenylphosphanium
PubChem CID138521831
Molecular FormulaC22H23NO2P+
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(2-aminoacetyl)oxyethyl-triphenylphosphanium
SMILESNCC(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO2P/c23-18-22(24)25-16-17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18,23H2/q+1
InChIKeyQLGJFOUBHBTPQI-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
(Ethoxycarbonylmethyl)triphenylphosphonium
CID 73732
Ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 10666405
(2R)-2-amino-3-ethoxy-3-oxopropane-1-thiolate;chloropalladium(1+);triphenylphosphane
CID 11827775
Ethyl 2-acetamido-2-[bromo(triphenyl)-lambda5-phosphanyl]acetate
CID 13082383
Triphenylphosphonioglycinate
CID 13429025
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
Methyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 101848661
Ethyl 2-[bis(diphenylphosphanyl)amino]acetate
CID 102435267
4-Triphenylphosphoranylidene-5(4h)-oxazolone
CID 129707297
alpha-Triphenylphosphonioglycinate
CID 129837734
Ethyl 2-[2-[chloro(triphenyl)-lambda5-phosphanyl]ethoxycarbonylamino]acetate
CID 134976907

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium?
The IUPAC name of 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium (CID 138521831) is 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium.
What is the SMILES notation for 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium?
The canonical SMILES for 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium is NCC(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium?
The InChIKey is QLGJFOUBHBTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2P/c23-18-22(24)25-16-17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18,23H2/q+1.
What are the key properties of 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium?
2-(2-aminoacetyl)oxyethyl-triphenylphosphanium has a molecular weight of 364.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoacetyl)oxyethyl-triphenylphosphanium is sourced from PubChem (CID 138521831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).