(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid

C28H25NO3 — CID 15725606

IUPAC(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C28H25NO3/c29-26(27(30)31)20-21-16-18-25(19-17-21)32-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1
InChIKeyNPNJNUNUMMLETK-SANMLTNESA-N
MW423.51 g/mol
LogP5.01
Rot. Bonds8

About (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid

(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid (PubChem CID 15725606) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid
PubChem CID15725606
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Name(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C28H25NO3/c29-26(27(30)31)20-21-16-18-25(19-17-21)32-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1
InChIKeyNPNJNUNUMMLETK-SANMLTNESA-N
XLogP5.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid (CID 15725606) is (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid is N[C@@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid?
The InChIKey is NPNJNUNUMMLETK-SANMLTNESA-N. The full InChI is InChI=1S/C28H25NO3/c29-26(27(30)31)20-21-16-18-25(19-17-21)32-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26H,20,29H2,(H,30,31)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid?
(2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid has a molecular weight of 423.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-trityloxyphenyl)propanoic acid is sourced from PubChem (CID 15725606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).