2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid

C21H20NO2P — CID 134884381

IUPAC2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
SMILESCC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C21H20NO2P/c1-17(21(23)24)22-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,23,24)
InChIKeyGAQLIGFUIRQKPO-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.64
Rot. Bonds5

About 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid

2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid (PubChem CID 134884381) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid.

Molecular Properties

Compound Name2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
PubChem CID134884381
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
SMILESCC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C21H20NO2P/c1-17(21(23)24)22-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,23,24)
InChIKeyGAQLIGFUIRQKPO-UHFFFAOYSA-N
XLogP3.64
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
2-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 69037711
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
iron(2+);bis(triphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium);tetranitrate
CID 139138286
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
tris[[dimethyl(phenyl)-λ5-phosphanylidene]amino]-methylphosphanium
CID 23415148
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
[diphenyl(sulfamoylimino)-lambda5-phosphanyl]benzene
CID 15191029
2-diphenylphosphanylpropanoic acid
CID 14902743
methyl(phenyl)phosphinic acid;zinc
CID 66618039
(tert-butylamino)-diphenyl-[(triphenyl-λ5-phosphanylidene)amino]phosphanium chloride
CID 11845879
CID 139138291
CID 139138291

Frequently Asked Questions

What is the IUPAC name of 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid?
The IUPAC name of 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid (CID 134884381) is 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid.
What is the SMILES notation for 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid?
The canonical SMILES for 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid is CC(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid?
The InChIKey is GAQLIGFUIRQKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20NO2P/c1-17(21(23)24)22-25(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3,(H,23,24).
What are the key properties of 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid?
2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid has a molecular weight of 349.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid is sourced from PubChem (CID 134884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).