2-amino-4-oxo-4-(tritylamino)butanoic acid

C23H22N2O3 — CID 15997511

IUPAC2-amino-4-oxo-4-(tritylamino)butanoic acid
SMILESNC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)
InChIKeyBRRPJQYCERAMFI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.90
Rot. Bonds7

About 2-amino-4-oxo-4-(tritylamino)butanoic acid

2-amino-4-oxo-4-(tritylamino)butanoic acid (PubChem CID 15997511) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-amino-4-oxo-4-(tritylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-oxo-4-(tritylamino)butanoic acid
PubChem CID15997511
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-amino-4-oxo-4-(tritylamino)butanoic acid
SMILESNC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)
InChIKeyBRRPJQYCERAMFI-UHFFFAOYSA-N
XLogP2.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-oxo-4-(tritylamino)butanoic 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

2-(benzhydrylcarbamoyl)cyclohexane-1-carboxylic Acid
CID 4314943
L-leucine,n-(triphenylmethyl)-
CID 270298
2-Amino-N-biphenyl-4-yl-succinamic acid
CID 44404615
(2S)-2-amino-4-(4-benzylanilino)-4-oxobutanoic acid
CID 71450918
4-((Diphenylmethyl)amino)-4-oxobutanoic acid
CID 245011
N-(Triphenylmethyl)-L-asparagine
CID 7408309
N-(Triphenylmethyl)-L-glutamine
CID 7408404
(R)-(+)-N-[1-(1-Naphthyl)ethyl]succinamic acid
CID 16213040
(2S)-2-amino-3-(tritylamino)propanoic acid
CID 57326381
Alanine, N-trityl-, DL-
CID 4999077
(S)-(-)-N-[1-(1-Naphthyl)ethyl]succinamic acid
CID 10683518
Asparagine, N(sup 2)-benzyl-N,N-diethyl-, DL-
CID 33174

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-(tritylamino)butanoic acid?
The IUPAC name of 2-amino-4-oxo-4-(tritylamino)butanoic acid (CID 15997511) is 2-amino-4-oxo-4-(tritylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-oxo-4-(tritylamino)butanoic acid?
The canonical SMILES for 2-amino-4-oxo-4-(tritylamino)butanoic acid is NC(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-(tritylamino)butanoic acid?
The InChIKey is BRRPJQYCERAMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28).
What are the key properties of 2-amino-4-oxo-4-(tritylamino)butanoic acid?
2-amino-4-oxo-4-(tritylamino)butanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-(tritylamino)butanoic acid is sourced from PubChem (CID 15997511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).