tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate

C10H17NO3 — CID 135392142

IUPACtert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
SMILESCC1C(=O)C(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)7(2)11(6)9(13)14-10(3,4)5/h6-7H,1-5H3
InChIKeyOHLGSQSWZWUQHA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.58
Rot. Bonds

About tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate

tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate (PubChem CID 135392142) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
PubChem CID135392142
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate
SMILESCC1C(=O)C(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-6-8(12)7(2)11(6)9(13)14-10(3,4)5/h6-7H,1-5H3
InChIKeyOHLGSQSWZWUQHA-UHFFFAOYSA-N
XLogP1.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 2,5-dimethyl-2,5-dihydropyrrole-1-carboxylate
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CID 71188473
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CID 90048538
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CID 158199472
tert-butyl (1R,5R)-2,6-dioxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 71724109
1-O-tert-butyl 2-O-methyl (5R)-5-methyl-3-oxopyrrolidine-1,2-dicarboxylate
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tert-butyl 3-methyl-6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118940554
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
tert-butyl (1S,5S)-3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 86811260
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate?
The IUPAC name of tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate (CID 135392142) is tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate is CC1C(=O)C(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate?
The InChIKey is OHLGSQSWZWUQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-8(12)7(2)11(6)9(13)14-10(3,4)5/h6-7H,1-5H3.
What are the key properties of tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate?
tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,4-dimethyl-3-oxoazetidine-1-carboxylate is sourced from PubChem (CID 135392142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).