triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium

C28H27NO2P+ — CID 57338291

IUPACtriphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
SMILESC[C@@H](NC(=O)OCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26NO2P/c1-23(29-28(30)31-22-24-14-6-2-7-15-24)32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3/p+1/t23-/m0/s1
InChIKeyARNZBIAJCLBWNK-QHCPKHFHSA-O
MW440.50 g/mol
LogP5.25
Rot. Bonds7

About triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium

triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium (PubChem CID 57338291) has the molecular formula C28H27NO2P+ and a molecular weight of 440.50 g/mol. Its IUPAC name is triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
PubChem CID57338291
Molecular FormulaC28H27NO2P+
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Nametriphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
SMILESC[C@@H](NC(=O)OCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26NO2P/c1-23(29-28(30)31-22-24-14-6-2-7-15-24)32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3/p+1/t23-/m0/s1
InChIKeyARNZBIAJCLBWNK-QHCPKHFHSA-O
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.25
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

benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonous acid
CID 21325852
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
CID 67174902
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium?
The IUPAC name of triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium (CID 57338291) is triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium.
What is the SMILES notation for triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium?
The canonical SMILES for triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium is C[C@@H](NC(=O)OCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium?
The InChIKey is ARNZBIAJCLBWNK-QHCPKHFHSA-O. The full InChI is InChI=1S/C28H26NO2P/c1-23(29-28(30)31-22-24-14-6-2-7-15-24)32(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21,23H,22H2,1H3/p+1/t23-/m0/s1.
What are the key properties of triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium?
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium has a molecular weight of 440.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium is sourced from PubChem (CID 57338291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).