methyl 2,2-dimethylazetidine-1-carboxylate

C7H13NO2 — CID 126990009

IUPACmethyl 2,2-dimethylazetidine-1-carboxylate
SMILESCOC(=O)N1CCC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)4-5-8(7)6(9)10-3/h4-5H2,1-3H3
InChIKeyDUMNRJNSJQTFHJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.24
Rot. Bonds

About methyl 2,2-dimethylazetidine-1-carboxylate

methyl 2,2-dimethylazetidine-1-carboxylate (PubChem CID 126990009) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2,2-dimethylazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethylazetidine-1-carboxylate
PubChem CID126990009
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2,2-dimethylazetidine-1-carboxylate
SMILESCOC(=O)N1CCC1(C)C
InChIInChI=1S/C7H13NO2/c1-7(2)4-5-8(7)6(9)10-3/h4-5H2,1-3H3
InChIKeyDUMNRJNSJQTFHJ-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 169312195
methyl 6-methyl-1,6-diazaspiro[3.3]heptane-1-carboxylate
CID 118974431
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
methyl 1,1-dimethyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 83848945
(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
CID 130683901
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
methyl (1S,6R)-1,6-dimethyl-7-azabicyclo[4.2.0]octane-7-carboxylate
CID 94036888
1-(2,2-dimethylazetidin-1-yl)but-2-yn-1-one
CID 126988479
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
CID 131154451
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130703615

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethylazetidine-1-carboxylate?
The IUPAC name of methyl 2,2-dimethylazetidine-1-carboxylate (CID 126990009) is methyl 2,2-dimethylazetidine-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethylazetidine-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethylazetidine-1-carboxylate is COC(=O)N1CCC1(C)C.
What is the InChIKey of methyl 2,2-dimethylazetidine-1-carboxylate?
The InChIKey is DUMNRJNSJQTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-5-8(7)6(9)10-3/h4-5H2,1-3H3.
What are the key properties of methyl 2,2-dimethylazetidine-1-carboxylate?
methyl 2,2-dimethylazetidine-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethylazetidine-1-carboxylate is sourced from PubChem (CID 126990009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).