(3S)-3-(tritylamino)oxetan-2-one

C22H19NO2 — CID 10892835

IUPAC(3S)-3-(tritylamino)oxetan-2-one
SMILESO=C1OC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-20(16-25-21)23-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16H2/t20-/m0/s1
InChIKeyWKOYUOGPQDPOFV-FQEVSTJZSA-N
MW329.40 g/mol
LogP3.49
Rot. Bonds5

About (3S)-3-(tritylamino)oxetan-2-one

(3S)-3-(tritylamino)oxetan-2-one (PubChem CID 10892835) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-3-(tritylamino)oxetan-2-one.

Molecular Properties

Compound Name(3S)-3-(tritylamino)oxetan-2-one
PubChem CID10892835
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(3S)-3-(tritylamino)oxetan-2-one
SMILESO=C1OC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO2/c24-21-20(16-25-21)23-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16H2/t20-/m0/s1
InChIKeyWKOYUOGPQDPOFV-FQEVSTJZSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(tritylamino)oxetan-2-one 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

L-leucine,n-(triphenylmethyl)-
CID 270298
Methyl 1-tritylaziridine-2-carboxylate
CID 291744
(S)-Methyl 1-tritylaziridine-2-carboxylate
CID 11142453
N-Tritylglycine ethyl ester
CID 262774
3-Trityloxazolidin-5-one
CID 7107390
N-Tritylglycine
CID 248898
N-(Triphenylmethyl)-L-serine methyl ester
CID 7128367
Alanine, N-trityl-, DL-
CID 4999077
(2R)-3-hydroxy-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138632273
(2R)-3-hydroxy-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138632886
(2S)-3-hydroxy-2-methyl-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 147007724
3-hydroxy-2-methyl-2-[[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 149701797

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tritylamino)oxetan-2-one?
The IUPAC name of (3S)-3-(tritylamino)oxetan-2-one (CID 10892835) is (3S)-3-(tritylamino)oxetan-2-one.
What is the SMILES notation for (3S)-3-(tritylamino)oxetan-2-one?
The canonical SMILES for (3S)-3-(tritylamino)oxetan-2-one is O=C1OC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-(tritylamino)oxetan-2-one?
The InChIKey is WKOYUOGPQDPOFV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19NO2/c24-21-20(16-25-21)23-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16H2/t20-/m0/s1.
What are the key properties of (3S)-3-(tritylamino)oxetan-2-one?
(3S)-3-(tritylamino)oxetan-2-one has a molecular weight of 329.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tritylamino)oxetan-2-one is sourced from PubChem (CID 10892835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).