2-(triphenylphosphaniumylamino)acetate

C20H18NO2P — CID 13429025

IUPAC2-(triphenylphosphaniumylamino)acetate
SMILESO=C([O-])CN[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c22-20(23)16-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyAZTBQWNBGVDUTI-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.24
Rot. Bonds6

About 2-(triphenylphosphaniumylamino)acetate

2-(triphenylphosphaniumylamino)acetate (PubChem CID 13429025) has the molecular formula C20H18NO2P and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(triphenylphosphaniumylamino)acetate.

Molecular Properties

Compound Name2-(triphenylphosphaniumylamino)acetate
PubChem CID13429025
Molecular FormulaC20H18NO2P
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-(triphenylphosphaniumylamino)acetate
SMILESO=C([O-])CN[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c22-20(23)16-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyAZTBQWNBGVDUTI-UHFFFAOYSA-N
XLogP1.24
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.24
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

Diphenylphosphinoglycine
CID 69729690
6-[Bromo(triphenyl)-lambda5-phosphanyl]hexylazanium;2,2,2-trifluoroacetate
CID 156874555
6-Aminohexyl(triphenyl)phosphanium;2,2,2-trifluoroacetate;hydrobromide
CID 173973329
Ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 10666405
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
Methyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 101848661
alpha-Triphenylphosphonioglycinate
CID 129837734
2-[(Triphenyl-lambda5-phosphanylidene)amino]propanoic acid
CID 134884381
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-aminopropanoate
CID 134976921
(3-Amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
(3-Amino-2-deuterio-3-oxopropyl)-triphenylphosphanium acetate
CID 139243691
(Z)-1-(trideuterioazaniumyl)-3-triphenylphosphaniumylprop-1-en-1-olate acetate
CID 139243702

Frequently Asked Questions

What is the IUPAC name of 2-(triphenylphosphaniumylamino)acetate?
The IUPAC name of 2-(triphenylphosphaniumylamino)acetate (CID 13429025) is 2-(triphenylphosphaniumylamino)acetate.
What is the SMILES notation for 2-(triphenylphosphaniumylamino)acetate?
The canonical SMILES for 2-(triphenylphosphaniumylamino)acetate is O=C([O-])CN[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenylphosphaniumylamino)acetate?
The InChIKey is AZTBQWNBGVDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO2P/c22-20(23)16-21-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2.
What are the key properties of 2-(triphenylphosphaniumylamino)acetate?
2-(triphenylphosphaniumylamino)acetate has a molecular weight of 335.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triphenylphosphaniumylamino)acetate is sourced from PubChem (CID 13429025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).