1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate

C22H25NO4 — CID 102450732

IUPAC1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@]1(c2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO4/c1-21(2,3)27-19(24)22(18-12-8-5-9-13-18)14-15-23(22)20(25)26-16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3/t22-/m1/s1
InChIKeySOHUBEPBTHXMRK-JOCHJYFZSA-N
MW367.45 g/mol
LogP4.27
Rot. Bonds4

About 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate

1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate (PubChem CID 102450732) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate
PubChem CID102450732
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@]1(c2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H25NO4/c1-21(2,3)27-19(24)22(18-12-8-5-9-13-18)14-15-23(22)20(25)26-16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3/t22-/m1/s1
InChIKeySOHUBEPBTHXMRK-JOCHJYFZSA-N
XLogP4.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate 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

1-O-benzyl 2-O-tert-butyl (2S)-2-phenylazetidine-1,2-dicarboxylate
CID 102450733
tert-butyl (2R)-1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]-2-phenylpyrrolidine-2-carboxylate
CID 22847884
benzyl 3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]azetidine-1-carboxylate
CID 165367597
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
(5S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-phenylmethoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 155893633
3-O-benzyl 6-O'-tert-butyl 6-O-methyl 3-azabicyclo[3.1.0]hexane-3,6,6-tricarboxylate
CID 57134384
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
4-O-benzyl 1-O-tert-butyl 4-formyloxypiperidine-1,4-dicarboxylate
CID 174582044
2-O-benzyl 3-O-tert-butyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 22902175
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate (CID 102450732) is 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@]1(c2ccccc2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate?
The InChIKey is SOHUBEPBTHXMRK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25NO4/c1-21(2,3)27-19(24)22(18-12-8-5-9-13-18)14-15-23(22)20(25)26-16-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate?
1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate has a molecular weight of 367.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-tert-butyl (2R)-2-phenylazetidine-1,2-dicarboxylate is sourced from PubChem (CID 102450732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).