[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium

C22H22O2P+ — CID 139198951

IUPAC[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
SMILESC[C@H](CC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-18(17-22(23)24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3/p+1/t18-/m1/s1
InChIKeyRQQJAXMYNAEBCY-GOSISDBHSA-O
MW349.39 g/mol
LogP3.84
Rot. Bonds6

About [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium

[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium (PubChem CID 139198951) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
PubChem CID139198951
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium
SMILESC[C@H](CC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-18(17-22(23)24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3/p+1/t18-/m1/s1
InChIKeyRQQJAXMYNAEBCY-GOSISDBHSA-O
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-carboxy-1-phenylethyl)-triphenylphosphanium bromide
CID 45048009
(5-carboxy-3,4-dimethylpentyl)-triphenylphosphanium
CID 86733262
4-methyl-3-phenylpentanoic acid
CID 3249521
pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
(2-bromo-2-oxoethyl)-dimethyl-phenylphosphanium bromide
CID 175403432
[(2R)-heptan-2-yl]-triphenylphosphanium
CID 98534307

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium?
The IUPAC name of [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium (CID 139198951) is [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium.
What is the SMILES notation for [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium?
The canonical SMILES for [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium is C[C@H](CC(=O)O)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium?
The InChIKey is RQQJAXMYNAEBCY-GOSISDBHSA-O. The full InChI is InChI=1S/C22H21O2P/c1-18(17-22(23)24)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18H,17H2,1H3/p+1/t18-/m1/s1.
What are the key properties of [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium?
[(2R)-1-carboxypropan-2-yl]-triphenylphosphanium has a molecular weight of 349.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-carboxypropan-2-yl]-triphenylphosphanium is sourced from PubChem (CID 139198951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).