6-(tritylamino)hexanoic acid

C25H27NO2 — CID 596974

IUPAC6-(tritylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c27-24(28)19-11-4-12-20-26-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18,26H,4,11-12,19-20H2,(H,27,28)
InChIKeyRIHLCYPQNGWANI-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.21
Rot. Bonds10

About 6-(tritylamino)hexanoic acid

6-(tritylamino)hexanoic acid (PubChem CID 596974) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-(tritylamino)hexanoic acid.

Molecular Properties

Compound Name6-(tritylamino)hexanoic acid
PubChem CID596974
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name6-(tritylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c27-24(28)19-11-4-12-20-26-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18,26H,4,11-12,19-20H2,(H,27,28)
InChIKeyRIHLCYPQNGWANI-UHFFFAOYSA-N
XLogP5.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(tritylamino)hexanoic 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 6-(tritylamino)hexanoic acid?
The IUPAC name of 6-(tritylamino)hexanoic acid (CID 596974) is 6-(tritylamino)hexanoic acid.
What is the SMILES notation for 6-(tritylamino)hexanoic acid?
The canonical SMILES for 6-(tritylamino)hexanoic acid is O=C(O)CCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(tritylamino)hexanoic acid?
The InChIKey is RIHLCYPQNGWANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c27-24(28)19-11-4-12-20-26-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18,26H,4,11-12,19-20H2,(H,27,28).
What are the key properties of 6-(tritylamino)hexanoic acid?
6-(tritylamino)hexanoic acid has a molecular weight of 373.50 g/mol, XLogP of 5.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tritylamino)hexanoic acid is sourced from PubChem (CID 596974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).