tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate

C19H21NO2 — CID 101106252

IUPACtert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
InChIKeyQQWBUKJSGLMRNC-IAGOWNOFSA-N
MW295.38 g/mol
LogP4.72
Rot. Bonds2

About tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate

tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate (PubChem CID 101106252) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
PubChem CID101106252
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nametert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
InChIKeyQQWBUKJSGLMRNC-IAGOWNOFSA-N
XLogP4.72
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 10916338
1-O-tert-butyl 2-O-methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-phenylpyrrolidine-1,2-dicarboxylate
CID 56934741
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
CID 57172528
tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 71188473
(2R,4S,5R)-2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 67541584
2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 77310176
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate (CID 101106252) is tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate?
The InChIKey is QQWBUKJSGLMRNC-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)22-18(21)20-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate?
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate is sourced from PubChem (CID 101106252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).