[carboxy(ethyl)amino]-triphenylphosphanium

C21H21NO2P+ — CID 87554011

IUPAC[carboxy(ethyl)amino]-triphenylphosphanium
SMILESCCN(C(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1
InChIKeyMIZBPDTZEMVUHO-UHFFFAOYSA-O
MW350.38 g/mol
LogP3.90
Rot. Bonds5

About [carboxy(ethyl)amino]-triphenylphosphanium

[carboxy(ethyl)amino]-triphenylphosphanium (PubChem CID 87554011) has the molecular formula C21H21NO2P+ and a molecular weight of 350.38 g/mol. Its IUPAC name is [carboxy(ethyl)amino]-triphenylphosphanium.

Molecular Properties

Compound Name[carboxy(ethyl)amino]-triphenylphosphanium
PubChem CID87554011
Molecular FormulaC21H21NO2P+
Molecular Weight350.38 g/mol
Exact Mass350.13
IUPAC Name[carboxy(ethyl)amino]-triphenylphosphanium
SMILESCCN(C(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1
InChIKeyMIZBPDTZEMVUHO-UHFFFAOYSA-O
XLogP3.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylcarbamoyloxy(triphenyl)germane
CID 16716277
Carboxy-diethyl-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]azanium
CID 134884453
diphenylphosphanyl N,N-diethylcarbamate
CID 12793809
N,N-Diethyl-2-(triphenylphosphoranylidene)acetamide
CID 12848580
(Triphenyl-lambda5-phosphanylidene)carbamic acid
CID 19870342
ethyl N-[2-oxopropyl(triphenyl)-lambda5-phosphanyl]-N-propylcarbamate
CID 20348717
N-[2-oxopropyl(triphenyl)-lambda5-phosphanyl]-N-propylacetamide
CID 20348720
Hydrogen carbonate;methyl(triphenyl)phosphanium
CID 20487884
2-(Carboxyamino)propan-2-yl-triphenylphosphanium
CID 87278545
N-methyl-N-(2-triphenylphosphaniumylethyl)carbamate
CID 87458454
N-ethyl-N-triphenylphosphaniumylcarbamate
CID 87554010
N-(1-triphenylphosphaniumylethyl)carbamate
CID 87554013

Frequently Asked Questions

What is the IUPAC name of [carboxy(ethyl)amino]-triphenylphosphanium?
The IUPAC name of [carboxy(ethyl)amino]-triphenylphosphanium (CID 87554011) is [carboxy(ethyl)amino]-triphenylphosphanium.
What is the SMILES notation for [carboxy(ethyl)amino]-triphenylphosphanium?
The canonical SMILES for [carboxy(ethyl)amino]-triphenylphosphanium is CCN(C(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [carboxy(ethyl)amino]-triphenylphosphanium?
The InChIKey is MIZBPDTZEMVUHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H20NO2P/c1-2-22(21(23)24)25(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3/p+1.
What are the key properties of [carboxy(ethyl)amino]-triphenylphosphanium?
[carboxy(ethyl)amino]-triphenylphosphanium has a molecular weight of 350.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxy(ethyl)amino]-triphenylphosphanium is sourced from PubChem (CID 87554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).