tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate

C13H24N2O2 — CID 84800571

IUPACtert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1C1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14)11(15)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3
InChIKeyRJJYMARSXIWSAN-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.12
Rot. Bonds1

About tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate

tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate (PubChem CID 84800571) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate
PubChem CID84800571
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C1C1CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14)11(15)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3
InChIKeyRJJYMARSXIWSAN-UHFFFAOYSA-N
XLogP2.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
CID 84804762
tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
CID 82380938
tert-butyl 6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 160788675
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl 3-amino-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 82381493
tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 172577300
1-O-tert-butyl 2-O-methyl 3-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
CID 138115054
(2R,3R)-3-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86337811
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate (CID 84800571) is tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)C1C1CCC1.
What is the InChIKey of tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate?
The InChIKey is RJJYMARSXIWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-10(14)11(15)9-5-4-6-9/h9-11H,4-8,14H2,1-3H3.
What are the key properties of tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate?
tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate is sourced from PubChem (CID 84800571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).