tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate

C15H26N2O3 — CID 54349001

IUPACtert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC2(CCCC2)NC1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)16-11-7-6-10-15(17-12(11)18)8-4-5-9-15/h11H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUEJAIYUADJTMAG-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate

tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate (PubChem CID 54349001) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate
PubChem CID54349001
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC2(CCCC2)NC1=O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)16-11-7-6-10-15(17-12(11)18)8-4-5-9-15/h11H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyUEJAIYUADJTMAG-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]carbamate
CID 10614962
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-oxo-4-azaspiro[2.5]octan-6-yl)propanoate
CID 166893567
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate?
The IUPAC name of tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate (CID 54349001) is tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate is CC(C)(C)OC(=O)NC1CCCC2(CCCC2)NC1=O.
What is the InChIKey of tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate?
The InChIKey is UEJAIYUADJTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)20-13(19)16-11-7-6-10-15(17-12(11)18)8-4-5-9-15/h11H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate?
tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate is sourced from PubChem (CID 54349001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).