(2R)-2-amino-3-triphenylphosphaniumylpropanoate

C21H20NO2P — CID 10247217

IUPAC(2R)-2-amino-3-triphenylphosphaniumylpropanoate
SMILESN[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C21H20NO2P/c22-20(21(23)24)16-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,22H2/t20-/m0/s1
InChIKeyAAJHUXPVVIOQRK-FQEVSTJZSA-N
MW349.37 g/mol
LogP1.06
Rot. Bonds6

About (2R)-2-amino-3-triphenylphosphaniumylpropanoate

(2R)-2-amino-3-triphenylphosphaniumylpropanoate (PubChem CID 10247217) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is (2R)-2-amino-3-triphenylphosphaniumylpropanoate.

Molecular Properties

Compound Name(2R)-2-amino-3-triphenylphosphaniumylpropanoate
PubChem CID10247217
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(2R)-2-amino-3-triphenylphosphaniumylpropanoate
SMILESN[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C21H20NO2P/c22-20(21(23)24)16-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,22H2/t20-/m0/s1
InChIKeyAAJHUXPVVIOQRK-FQEVSTJZSA-N
XLogP1.06
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[Bromo(triphenyl)-lambda5-phosphanyl]hexylazanium;2,2,2-trifluoroacetate
CID 156874555
6-Aminohexyl(triphenyl)phosphanium;2,2,2-trifluoroacetate;hydrobromide
CID 173973329
Triphenylphosphonioglycinate
CID 13429025
methyl (2S)-2-(diphenylphosphorylamino)propanoate
CID 91978644
methyl (2S)-2-(diphenylphosphanylamino)propanoate
CID 101151632
alpha-Triphenylphosphonioglycinate
CID 129837734
2-[(Triphenyl-lambda5-phosphanylidene)amino]propanoic acid
CID 134884381
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-aminopropanoate
CID 134976921
2-[bromo(triphenyl)-lambda5-phosphanyl]ethyl (2S)-2-amino-3-methylbutanoate
CID 134977184
(3-Amino-3-oxopropyl)-triphenylphosphanium acetate
CID 139243684
(3-Amino-2-deuterio-3-oxopropyl)-triphenylphosphanium acetate
CID 139243691
alpha-Diphenylphosphinoglycine
CID 146170624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-triphenylphosphaniumylpropanoate?
The IUPAC name of (2R)-2-amino-3-triphenylphosphaniumylpropanoate (CID 10247217) is (2R)-2-amino-3-triphenylphosphaniumylpropanoate.
What is the SMILES notation for (2R)-2-amino-3-triphenylphosphaniumylpropanoate?
The canonical SMILES for (2R)-2-amino-3-triphenylphosphaniumylpropanoate is N[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-amino-3-triphenylphosphaniumylpropanoate?
The InChIKey is AAJHUXPVVIOQRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20NO2P/c22-20(21(23)24)16-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,22H2/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-triphenylphosphaniumylpropanoate?
(2R)-2-amino-3-triphenylphosphaniumylpropanoate has a molecular weight of 349.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-triphenylphosphaniumylpropanoate is sourced from PubChem (CID 10247217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).