ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate

C23H24NO2P — CID 10643311

IUPACethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
SMILESCCOC(=O)C(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NO2P/c1-3-26-23(25)19(2)24-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3
InChIKeyNVEVTDLOIAKGGB-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate

ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate (PubChem CID 10643311) has the molecular formula C23H24NO2P and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
PubChem CID10643311
Molecular FormulaC23H24NO2P
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Nameethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
SMILESCCOC(=O)C(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24NO2P/c1-3-26-23(25)19(2)24-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3
InChIKeyNVEVTDLOIAKGGB-UHFFFAOYSA-N
XLogP4.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(triphenyl-λ5-phosphanylidene)amino]propanoic acid
CID 134884381
ethyl (2S)-2-(2-phenylethylideneamino)propanoate
CID 57126105
ethyl (E)-2-[(triphenyl-λ5-phosphanylidene)amino]but-2-enoate
CID 11143605
ethyl 2-[(4-sulfamoylphenyl)diazenyl]-2-[(triphenyl-λ5-phosphanylidene)amino]acetate
CID 91348217
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193
benzene-1,2-diol;diethyl 2-methylpropanedioate
CID 174542693
ethyl (2R)-2-triphenylstannylpropanoate
CID 99771305
ethyl (2R,3R)-2-benzyl-3,4-dimethylpentanoate
CID 11459321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate?
The IUPAC name of ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate (CID 10643311) is ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate.
What is the SMILES notation for ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate?
The canonical SMILES for ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate is CCOC(=O)C(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate?
The InChIKey is NVEVTDLOIAKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO2P/c1-3-26-23(25)19(2)24-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3.
What are the key properties of ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate?
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate has a molecular weight of 377.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate is sourced from PubChem (CID 10643311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).