(carboxymethylamino)-triphenylphosphanium

C20H19NO2P+ — CID 13429026

IUPAC(carboxymethylamino)-triphenylphosphanium
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/p+1
InChIKeyAZTBQWNBGVDUTI-UHFFFAOYSA-O
MW336.35 g/mol
LogP2.57
Rot. Bonds6

About (carboxymethylamino)-triphenylphosphanium

(carboxymethylamino)-triphenylphosphanium (PubChem CID 13429026) has the molecular formula C20H19NO2P+ and a molecular weight of 336.35 g/mol. Its IUPAC name is (carboxymethylamino)-triphenylphosphanium.

Molecular Properties

Compound Name(carboxymethylamino)-triphenylphosphanium
PubChem CID13429026
Molecular FormulaC20H19NO2P+
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(carboxymethylamino)-triphenylphosphanium
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/p+1
InChIKeyAZTBQWNBGVDUTI-UHFFFAOYSA-O
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenylphosphinoglycine
CID 69729690
(6-ammoniohexyl)triphenylphosphonium bromide TFA
CID 86685028
2-[[Hydroxy(phenyl)phosphinothioyl]amino]acetic acid
CID 130397659
Ethyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 10666405
Triphenylphosphonioglycinate
CID 13429025
Methyl 2-[(triphenyl-lambda5-phosphanylidene)amino]acetate
CID 101848661
alpha-Triphenylphosphonioglycinate
CID 129837734
2-[(Triphenyl-lambda5-phosphanylidene)amino]propanoic acid
CID 134884381
[(Z)-3-amino-3-hydroxyprop-2-enyl]-triphenylphosphanium acetate
CID 139243704
alpha-Diphenylphosphinoglycine
CID 146170624
2-Aminoacetic acid;trifluoromethanesulfonate;triphenylphosphanium
CID 159655110
2-Aminoacetic acid;trifluoromethanesulfonic acid;triphenylphosphane
CID 171932997

Frequently Asked Questions

What is the IUPAC name of (carboxymethylamino)-triphenylphosphanium?
The IUPAC name of (carboxymethylamino)-triphenylphosphanium (CID 13429026) is (carboxymethylamino)-triphenylphosphanium.
What is the SMILES notation for (carboxymethylamino)-triphenylphosphanium?
The canonical SMILES for (carboxymethylamino)-triphenylphosphanium is O=C(O)CN[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (carboxymethylamino)-triphenylphosphanium?
The InChIKey is AZTBQWNBGVDUTI-UHFFFAOYSA-O. 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/p+1.
What are the key properties of (carboxymethylamino)-triphenylphosphanium?
(carboxymethylamino)-triphenylphosphanium has a molecular weight of 336.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (carboxymethylamino)-triphenylphosphanium is sourced from PubChem (CID 13429026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).