2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium

C25H27NO4P+ — CID 138521982

IUPAC2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
SMILESNC(CCC(=O)O)C(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO4P/c26-23(16-17-24(27)28)25(29)30-18-19-31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19,26H2/p+1
InChIKeyHEPAZBXAEHFMBA-UHFFFAOYSA-O
MW436.47 g/mol
LogP2.72
Rot. Bonds10

About 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium

2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium (PubChem CID 138521982) has the molecular formula C25H27NO4P+ and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
PubChem CID138521982
Molecular FormulaC25H27NO4P+
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
SMILESNC(CCC(=O)O)C(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26NO4P/c26-23(16-17-24(27)28)25(29)30-18-19-31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19,26H2/p+1
InChIKeyHEPAZBXAEHFMBA-UHFFFAOYSA-O
XLogP2.72
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
CID 138521747
(2-amino-4-carboxybutanoyl)oxymethyl-triphenylphosphanium bromide
CID 138521750
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
2-[5-[(4-amino-5-oxo-5-propoxypentanoyl)amino]-4-oxo-6-sulfanylhexanoyl]oxyethyl-triphenylphosphanium
CID 159939954
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropanoic acid
CID 169084038
(4S)-4-amino-5-(3,3-diazidopropoxy)-5-oxopentanoic acid
CID 141237869
4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid
CID 175375259

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium?
The IUPAC name of 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium (CID 138521982) is 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium.
What is the SMILES notation for 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium?
The canonical SMILES for 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium is NC(CCC(=O)O)C(=O)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium?
The InChIKey is HEPAZBXAEHFMBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H26NO4P/c26-23(16-17-24(27)28)25(29)30-18-19-31(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19,26H2/p+1.
What are the key properties of 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium?
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium has a molecular weight of 436.47 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium is sourced from PubChem (CID 138521982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).