tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C14H25N3O3 — CID 168698716

IUPACtert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CC(N)CC2=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-6-4-5-11(9-16)17-8-10(15)7-12(17)18/h10-11H,4-9,15H2,1-3H3
InChIKeyJKUHRIDQPXQYTD-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.95
Rot. Bonds1

About tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 168698716) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID168698716
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(N2CC(N)CC2=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-6-4-5-11(9-16)17-8-10(15)7-12(17)18/h10-11H,4-9,15H2,1-3H3
InChIKeyJKUHRIDQPXQYTD-UHFFFAOYSA-N
XLogP0.95
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl (3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114841
tert-butyl 3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 118114997
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407
tert-butyl (3R)-3-(4-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168686809
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl (3R)-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168506489
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 168680158
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 168698716) is tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(N2CC(N)CC2=O)C1.
What is the InChIKey of tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is JKUHRIDQPXQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-6-4-5-11(9-16)17-8-10(15)7-12(17)18/h10-11H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 168698716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).