azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate

C10H18N2O2 — CID 118447065

IUPACazetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC2CNC2)C1
InChIInChI=1S/C10H18N2O2/c1-10(2)3-4-12(7-10)9(13)14-8-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyMEVGPGSFDGDYKJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.83
Rot. Bonds1

About azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate

azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 118447065) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameazetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
PubChem CID118447065
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameazetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1(C)CCN(C(=O)OC2CNC2)C1
InChIInChI=1S/C10H18N2O2/c1-10(2)3-4-12(7-10)9(13)14-8-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyMEVGPGSFDGDYKJ-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 4,4-dimethylpiperidine-1-carboxylate
CID 165444759
azetidin-3-yl 4-methylpiperidine-1-carboxylate
CID 79337031
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2,2,2-trifluoroethyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 79039797
azetidin-3-ylmethyl (3R)-3-methyl-3-propan-2-ylpyrrolidine-1-carboxylate
CID 118444576
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
(3,3-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119781993
(3,3-dimethylpyrrolidin-1-yl)-[(2S)-2-methylazetidin-2-yl]methanone;ethane
CID 144942230
1-(3,3-dimethylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 104937026
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate (CID 118447065) is azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate is CC1(C)CCN(C(=O)OC2CNC2)C1.
What is the InChIKey of azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is MEVGPGSFDGDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2)3-4-12(7-10)9(13)14-8-5-11-6-8/h8,11H,3-7H2,1-2H3.
What are the key properties of azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate?
azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl 3,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 118447065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).