tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate

C15H19NO3 — CID 21299736

IUPACtert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-12(11-8-6-5-7-9-11)16(13(10)17)14(18)19-15(2,3)4/h5-10,12H,1-4H3
InChIKeyKTNJVLDWLBPUBA-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate

tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate (PubChem CID 21299736) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
PubChem CID21299736
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-10-12(11-8-6-5-7-9-11)16(13(10)17)14(18)19-15(2,3)4/h5-10,12H,1-4H3
InChIKeyKTNJVLDWLBPUBA-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
tert-butyl (3S,5R)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 167017836
tert-butyl (3S,4S)-4-(cyclopropanecarbonylamino)-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylate
CID 154642067
tert-butyl (3S,4S)-3-benzoyloxy-2-oxo-4-phenylazetidine-1-carboxylate
CID 146032902
tert-butyl 3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
CID 11988555
tert-butyl (4S)-3-(2-methoxypropan-2-yloxy)-2-oxo-4-phenylazetidine-1-carboxylate
CID 143371339
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (4S,5R)-2-methyl-4,5-diphenyl-4,5-dihydroimidazole-1-carboxylate
CID 86596335
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257
tert-butyl 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 23372153
tert-butyl (2R,3R)-2-methyl-4-oxo-3-(trideuteriomethyl)azetidine-1-carboxylate
CID 58618366

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate (CID 21299736) is tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate is CC1C(=O)N(C(=O)OC(C)(C)C)C1c1ccccc1.
What is the InChIKey of tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
The InChIKey is KTNJVLDWLBPUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-12(11-8-6-5-7-9-11)16(13(10)17)14(18)19-15(2,3)4/h5-10,12H,1-4H3.
What are the key properties of tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate?
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate is sourced from PubChem (CID 21299736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).