tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate

C11H17NO3 — CID 24971150

IUPACtert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate
SMILESC=C[C@@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-6-8-7(2)9(13)12(8)10(14)15-11(3,4)5/h6-8H,1H2,2-5H3/t7-,8-/m1/s1
InChIKeyDQQKHAFFMQOJLX-HTQZYQBOSA-N
MW211.26 g/mol
LogP1.95
Rot. Bonds1

About tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate

tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate (PubChem CID 24971150) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate
PubChem CID24971150
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate
SMILESC=C[C@@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO3/c1-6-8-7(2)9(13)12(8)10(14)15-11(3,4)5/h6-8H,1H2,2-5H3/t7-,8-/m1/s1
InChIKeyDQQKHAFFMQOJLX-HTQZYQBOSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl 2-ethenylazetidine-1-carboxylate
CID 155007190
Tert-butyl 2-ethenyl-3,3-dimethylazetidine-1-carboxylate
CID 155978268
tert-butyl (1S,4R)-3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 10512045
tert-butyl (2R,3S)-2-ethenyl-3-[(1R)-1-methoxyethyl]-4-oxoazetidine-1-carboxylate
CID 11021471
tert-butyl (1R,5S)-7-oxo-6-azabicyclo[3.2.0]hept-3-ene-6-carboxylate
CID 23659085
Tert-butyl 3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 85166909
tert-butyl (1R,4S)-3-oxo-2-azabicyclo[2.2.0]hex-5-ene-2-carboxylate
CID 130985591
tert-butyl N-but-3-enoyl-N-[(3S)-hexa-1,5-dien-3-yl]carbamate
CID 135077755
Tert-butyl 2-ethenyl-2-methyl-4-oxoazetidine-1-carboxylate
CID 68618458
tert-butyl (2S,3R)-3-methyl-2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate
CID 135209463
Tert-butyl 2-(2-methylprop-1-enyl)-4-oxoazetidine-1-carboxylate
CID 142639891
tert-butyl (2S)-2-ethenylazetidine-1-carboxylate
CID 167239253

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate (CID 24971150) is tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate is C=C[C@@H]1[C@@H](C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate?
The InChIKey is DQQKHAFFMQOJLX-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-8-7(2)9(13)12(8)10(14)15-11(3,4)5/h6-8H,1H2,2-5H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate?
tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-ethenyl-3-methyl-4-oxoazetidine-1-carboxylate is sourced from PubChem (CID 24971150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).