3-[6-(tritylamino)-2-pyridinyl]propanoic acid

C27H24N2O2 — CID 19429847

IUPAC3-[6-(tritylamino)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C27H24N2O2/c30-26(31)20-19-24-17-10-18-25(28-24)29-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2,(H,28,29)(H,30,31)
InChIKeyBAOKHMVTZDUEPC-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.50
Rot. Bonds8

About 3-[6-(tritylamino)-2-pyridinyl]propanoic acid

3-[6-(tritylamino)-2-pyridinyl]propanoic acid (PubChem CID 19429847) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[6-(tritylamino)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-(tritylamino)-2-pyridinyl]propanoic acid
PubChem CID19429847
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name3-[6-(tritylamino)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C27H24N2O2/c30-26(31)20-19-24-17-10-18-25(28-24)29-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2,(H,28,29)(H,30,31)
InChIKeyBAOKHMVTZDUEPC-UHFFFAOYSA-N
XLogP5.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[6-(tritylamino)-2-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(tritylamino)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-(tritylamino)-2-pyridinyl]propanoic acid (CID 19429847) is 3-[6-(tritylamino)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-(tritylamino)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-(tritylamino)-2-pyridinyl]propanoic acid is O=C(O)CCc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 3-[6-(tritylamino)-2-pyridinyl]propanoic acid?
The InChIKey is BAOKHMVTZDUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-26(31)20-19-24-17-10-18-25(28-24)29-27(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-18H,19-20H2,(H,28,29)(H,30,31).
What are the key properties of 3-[6-(tritylamino)-2-pyridinyl]propanoic acid?
3-[6-(tritylamino)-2-pyridinyl]propanoic acid has a molecular weight of 408.50 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(tritylamino)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 19429847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).