2-(carboxyamino)propan-2-yl-triphenylphosphanium

C22H23NO2P+ — CID 87278545

IUPAC2-(carboxyamino)propan-2-yl-triphenylphosphanium
SMILESCC(C)(NC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3/p+1
InChIKeyZQWJSXPTOVNFJT-UHFFFAOYSA-O
MW364.41 g/mol
LogP3.98
Rot. Bonds5

About 2-(carboxyamino)propan-2-yl-triphenylphosphanium

2-(carboxyamino)propan-2-yl-triphenylphosphanium (PubChem CID 87278545) has the molecular formula C22H23NO2P+ and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(carboxyamino)propan-2-yl-triphenylphosphanium.

Molecular Properties

Compound Name2-(carboxyamino)propan-2-yl-triphenylphosphanium
PubChem CID87278545
Molecular FormulaC22H23NO2P+
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(carboxyamino)propan-2-yl-triphenylphosphanium
SMILESCC(C)(NC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3/p+1
InChIKeyZQWJSXPTOVNFJT-UHFFFAOYSA-O
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)propan-2-yl-triphenylphosphanium?
The IUPAC name of 2-(carboxyamino)propan-2-yl-triphenylphosphanium (CID 87278545) is 2-(carboxyamino)propan-2-yl-triphenylphosphanium.
What is the SMILES notation for 2-(carboxyamino)propan-2-yl-triphenylphosphanium?
The canonical SMILES for 2-(carboxyamino)propan-2-yl-triphenylphosphanium is CC(C)(NC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(carboxyamino)propan-2-yl-triphenylphosphanium?
The InChIKey is ZQWJSXPTOVNFJT-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22NO2P/c1-22(2,23-21(24)25)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3/p+1.
What are the key properties of 2-(carboxyamino)propan-2-yl-triphenylphosphanium?
2-(carboxyamino)propan-2-yl-triphenylphosphanium has a molecular weight of 364.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)propan-2-yl-triphenylphosphanium is sourced from PubChem (CID 87278545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).