tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate

C14H24N2O3 — CID 115050025

IUPACtert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2(N)CC(=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-6-4-5-10(9-16)14(15)7-11(17)8-14/h10H,4-9,15H2,1-3H3
InChIKeyOUQNTACZBKLSHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.69
Rot. Bonds1

About tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate

tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate (PubChem CID 115050025) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate
PubChem CID115050025
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C2(N)CC(=O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-6-4-5-10(9-16)14(15)7-11(17)8-14/h10H,4-9,15H2,1-3H3
InChIKeyOUQNTACZBKLSHS-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-aminocyclopentyl)piperidine-1-carboxylate
CID 115071767
tert-butyl (3R)-3-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 130757419
tert-butyl 3-(2-methyloxiran-2-yl)piperidine-1-carboxylate
CID 54983250
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-amino-4-oxoazepane-1-carboxylate
CID 75355418
tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate;iodozinc(1+)
CID 134128822

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate (CID 115050025) is tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C2(N)CC(=O)C2)C1.
What is the InChIKey of tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate?
The InChIKey is OUQNTACZBKLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-6-4-5-10(9-16)14(15)7-11(17)8-14/h10H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate?
tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-amino-3-oxocyclobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 115050025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).