tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate

C16H25N3O2 — CID 114720084

IUPACtert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncn2C2CCC2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-8-7-12(10-18)14-9-17-11-19(14)13-5-4-6-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeyRNCQRFFKMMKIHV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate (PubChem CID 114720084) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate
PubChem CID114720084
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cncn2C2CCC2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-8-7-12(10-18)14-9-17-11-19(14)13-5-4-6-13/h9,11-13H,4-8,10H2,1-3H3
InChIKeyRNCQRFFKMMKIHV-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl 3-[3-[2-(methylamino)-2-oxoethyl]imidazol-4-yl]azetidine-1-carboxylate
CID 114715977
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 130131991
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate (CID 114720084) is tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cncn2C2CCC2)C1.
What is the InChIKey of tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is RNCQRFFKMMKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-8-7-12(10-18)14-9-17-11-19(14)13-5-4-6-13/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-cyclobutylimidazol-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 114720084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).