tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate

C14H26N2O2 — CID 84804762

IUPACtert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)C1C1CCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-7-11(9-15)12(16)10-5-4-6-10/h10-12H,4-9,15H2,1-3H3
InChIKeyIPAVQYCGLVKEJE-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.37
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate

tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate (PubChem CID 84804762) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
PubChem CID84804762
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)C1C1CCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-7-11(9-15)12(16)10-5-4-6-10/h10-12H,4-9,15H2,1-3H3
InChIKeyIPAVQYCGLVKEJE-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-amino-2-cyclobutylpyrrolidine-1-carboxylate
CID 84800571
tert-butyl 6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 160788675
tert-butyl 3-amino-2-cyclohexylazetidine-1-carboxylate
CID 82380938
tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
(2R,3R)-3-cyclobutyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86337811
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
(2S,3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 54475314
(2S,3R)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86326501
tert-butyl (2R,3R)-2-cyclopropyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 172577300
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 4-(aminomethyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 83919928

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate (CID 84804762) is tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)C1C1CCC1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate?
The InChIKey is IPAVQYCGLVKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-7-11(9-15)12(16)10-5-4-6-10/h10-12H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-2-cyclobutylpyrrolidine-1-carboxylate is sourced from PubChem (CID 84804762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).