2-[carboxy(methyl)amino]ethyl-triphenylphosphanium

C22H23NO2P+ — CID 87458455

IUPAC2-[carboxy(methyl)amino]ethyl-triphenylphosphanium
SMILESCN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H22NO2P/c1-23(22(24)25)17-18-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/p+1
InChIKeyHNYCANHBTPACAR-UHFFFAOYSA-O
MW364.41 g/mol
LogP3.59
Rot. Bonds6

About 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium

2-[carboxy(methyl)amino]ethyl-triphenylphosphanium (PubChem CID 87458455) has the molecular formula C22H23NO2P+ and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[carboxy(methyl)amino]ethyl-triphenylphosphanium
PubChem CID87458455
Molecular FormulaC22H23NO2P+
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[carboxy(methyl)amino]ethyl-triphenylphosphanium
SMILESCN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H22NO2P/c1-23(22(24)25)17-18-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/p+1
InChIKeyHNYCANHBTPACAR-UHFFFAOYSA-O
XLogP3.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.59
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

Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
Phosphonium, [2-(dimethylamino)ethyl]triphenyl-
CID 2724137
Ethyl(triphenyl)phosphanium hydrogen carbonate
CID 18951703
N,N-diethylcarbamoyloxy(triphenyl)germane
CID 16716277
Diphenyl[diethylcarbamoylmethyl]phosphine
CID 22184277
[2-(Diethylamino)-2-oxoethyl]-triphenylphosphanium bromide
CID 85687272
Carboxy-butyl-triphenyl-phosphorane
CID 129717012
2-[bromo(triphenyl)-lambda5-phosphanyl]-N,N-diethylacetamide
CID 134872013
(Z)-1-[ethyl(methyl)amino]-2-triphenylphosphaniumylethenolate
CID 134876162
Carboxy-diethyl-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]azanium
CID 134884453
N,N-diethyl-1-triphenylstannylformamide
CID 134904800
3-(Dimethylamino)propyl-triphenylphosphanium;2,2,2-trifluoroacetic acid
CID 157825289

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium?
The IUPAC name of 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium (CID 87458455) is 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium is CN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium?
The InChIKey is HNYCANHBTPACAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22NO2P/c1-23(22(24)25)17-18-26(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17-18H2,1H3/p+1.
What are the key properties of 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium?
2-[carboxy(methyl)amino]ethyl-triphenylphosphanium has a molecular weight of 364.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(methyl)amino]ethyl-triphenylphosphanium is sourced from PubChem (CID 87458455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).