[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium

C24H25NO4P+ — CID 138521747

IUPAC[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
SMILESN[C@@H](CCC(=O)O)C(=O)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO4P/c25-22(16-17-23(26)27)24(28)29-18-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/p+1/t22-/m0/s1
InChIKeyIYJBWZUTYQMEBG-QFIPXVFZSA-O
MW422.44 g/mol
LogP2.67
Rot. Bonds9

About [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium

[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium (PubChem CID 138521747) has the molecular formula C24H25NO4P+ and a molecular weight of 422.44 g/mol. Its IUPAC name is [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium.

Molecular Properties

Compound Name[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
PubChem CID138521747
Molecular FormulaC24H25NO4P+
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium
SMILESN[C@@H](CCC(=O)O)C(=O)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NO4P/c25-22(16-17-23(26)27)24(28)29-18-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/p+1/t22-/m0/s1
InChIKeyIYJBWZUTYQMEBG-QFIPXVFZSA-O
XLogP2.67
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.67
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

(2-amino-4-carboxybutanoyl)oxymethyl-triphenylphosphanium bromide
CID 138521750
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
2-carboxyethoxymethyl(triphenyl)phosphanium
CID 20558069
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
4-amino-5-(3-amino-2-oxo-1-phenylpropoxy)-5-oxopentanoic acid
CID 175375259
4-amino-5-(2,3-dihydroxypropoxy)-5-oxopentanoic acid
CID 135319453
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
(2S)-2-aminopentanedioic acid;toluene
CID 67117620
(2S)-2-aminopentanedioic acid;anisole
CID 70447699

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium?
The IUPAC name of [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium (CID 138521747) is [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium.
What is the SMILES notation for [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium?
The canonical SMILES for [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium is N[C@@H](CCC(=O)O)C(=O)OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium?
The InChIKey is IYJBWZUTYQMEBG-QFIPXVFZSA-O. The full InChI is InChI=1S/C24H24NO4P/c25-22(16-17-23(26)27)24(28)29-18-30(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,25H2/p+1/t22-/m0/s1.
What are the key properties of [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium?
[(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium has a molecular weight of 422.44 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-4-carboxybutanoyl]oxymethyl-triphenylphosphanium is sourced from PubChem (CID 138521747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).