tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate

C14H19NO2 — CID 101369674

IUPACtert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C[C@H]1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)10-15-9-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,15?/m0/s1
InChIKeyHRYLTCMURWVSBK-SFVWDYPZSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate

tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate (PubChem CID 101369674) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
PubChem CID101369674
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C[C@H]1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)17-13(16)10-15-9-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,15?/m0/s1
InChIKeyHRYLTCMURWVSBK-SFVWDYPZSA-N
XLogP2.38
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
4-(2-phenylaziridin-1-yl)butan-2-one
CID 561043
tert-butyl 4-methyl-2-phenylpyrrolidine-1-carboxylate
CID 170718600
tert-butyl 2-phenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 85431629
tert-butyl 2-[(3S,7S)-3-(ethylamino)-2-oxo-7-phenylazepan-1-yl]acetate
CID 71032139
tert-butyl 2-methyl-7-phenyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 101399997
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
tert-butyl 3-oxo-5-phenylpyrazolidine-1-carboxylate
CID 102258450
CID 53230801
CID 53230801

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate (CID 101369674) is tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate is CC(C)(C)OC(=O)CN1C[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate?
The InChIKey is HRYLTCMURWVSBK-SFVWDYPZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)10-15-9-12(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-,15?/m0/s1.
What are the key properties of tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate?
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate has a molecular weight of 233.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate is sourced from PubChem (CID 101369674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).