tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate

C13H24N2O2 — CID 155344878

IUPACtert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
SMILESCC1CCCN1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-10-6-5-7-15(10)11-8-14(9-11)12(16)17-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIIMQRNHUYTUQMZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate

tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate (PubChem CID 155344878) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
PubChem CID155344878
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
SMILESCC1CCCN1C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-10-6-5-7-15(10)11-8-14(9-11)12(16)17-13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyIIMQRNHUYTUQMZ-UHFFFAOYSA-N
XLogP2.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 138622117
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CID 138622116
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
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tert-butyl 3-(2-methyl-3-methylidenepyrrolidin-1-yl)azetidine-1-carboxylate
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tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
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tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
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tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate (CID 155344878) is tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate is CC1CCCN1C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate?
The InChIKey is IIMQRNHUYTUQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-6-5-7-15(10)11-8-14(9-11)12(16)17-13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate?
tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 155344878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).