3-(tritylamino)propanoic acid

C22H21NO2 — CID 5141817

IUPAC3-(tritylamino)propanoic acid
SMILESO=C(O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-21(25)16-17-23-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2,(H,24,25)
InChIKeyDRBJRRIAZMJBOC-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.04
Rot. Bonds7

About 3-(tritylamino)propanoic acid

3-(tritylamino)propanoic acid (PubChem CID 5141817) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(tritylamino)propanoic acid.

Molecular Properties

Compound Name3-(tritylamino)propanoic acid
PubChem CID5141817
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-(tritylamino)propanoic acid
SMILESO=C(O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-21(25)16-17-23-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2,(H,24,25)
InChIKeyDRBJRRIAZMJBOC-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(tritylamino)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

Related Compounds

Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
L-leucine,n-(triphenylmethyl)-
CID 270298
N-Benzyl-beta-alanine
CID 225173
6-(3,3-Diphenylpropyl)guvacine
CID 195763
N~4~-tritylasparagine
CID 15997511
2-Methyl-3-(1-phenylethylamino)propanoic acid
CID 2826778
N-Tritylglycine
CID 248898
3-Pyridinecarboxylic acid, 6-(3,3-diphenylpropyl)-1,2,5,6-tetrahydro-
CID 195764
N-(Triphenylmethyl)-L-asparagine
CID 7408309
Benzylphenethylammonium acetate
CID 44152400
1-(Diphenylmethyl)azetidine-3-carboxylic acid
CID 2735440
(2S)-2-amino-3-(tritylamino)propanoic acid
CID 57326381

Frequently Asked Questions

What is the IUPAC name of 3-(tritylamino)propanoic acid?
The IUPAC name of 3-(tritylamino)propanoic acid (CID 5141817) is 3-(tritylamino)propanoic acid.
What is the SMILES notation for 3-(tritylamino)propanoic acid?
The canonical SMILES for 3-(tritylamino)propanoic acid is O=C(O)CCNC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(tritylamino)propanoic acid?
The InChIKey is DRBJRRIAZMJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21(25)16-17-23-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17H2,(H,24,25).
What are the key properties of 3-(tritylamino)propanoic acid?
3-(tritylamino)propanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tritylamino)propanoic acid is sourced from PubChem (CID 5141817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).