[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate

C12H19NO3 — CID 135298429

IUPAC[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate
SMILESCC(C)(C)C(=O)C1(OC(=O)N2CCC2)CC1
InChIInChI=1S/C12H19NO3/c1-11(2,3)9(14)12(5-6-12)16-10(15)13-7-4-8-13/h4-8H2,1-3H3
InChIKeyHCNCGEVVTWHDEC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.98
Rot. Bonds2

About [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate

[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate (PubChem CID 135298429) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate.

Molecular Properties

Compound Name[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate
PubChem CID135298429
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate
SMILESCC(C)(C)C(=O)C1(OC(=O)N2CCC2)CC1
InChIInChI=1S/C12H19NO3/c1-11(2,3)9(14)12(5-6-12)16-10(15)13-7-4-8-13/h4-8H2,1-3H3
InChIKeyHCNCGEVVTWHDEC-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-acetylcyclopropyl) azetidine-1-carboxylate
CID 126560673
(1-carboniodidoyl-4,4-difluorocyclohexyl) azetidine-1-carboxylate
CID 134570697
(1-ethoxycarbonylcyclopropyl) piperidine-1-carboxylate
CID 158772757
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
(1-methylcycloundecyl) 4,4-dimethylazepane-1-carboxylate
CID 155468911
[1-(hydroxycarbamoyl)cyclohexyl] piperidine-1-carboxylate
CID 143037581
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 4-(1-methylcyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 58147649
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid
CID 126560664

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate?
The IUPAC name of [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate (CID 135298429) is [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate.
What is the SMILES notation for [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate?
The canonical SMILES for [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate is CC(C)(C)C(=O)C1(OC(=O)N2CCC2)CC1.
What is the InChIKey of [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate?
The InChIKey is HCNCGEVVTWHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2,3)9(14)12(5-6-12)16-10(15)13-7-4-8-13/h4-8H2,1-3H3.
What are the key properties of [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate?
[1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropanoyl)cyclopropyl] azetidine-1-carboxylate is sourced from PubChem (CID 135298429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).