tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate

C11H19NO4 — CID 163301402

IUPACtert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12COCC(O)(C1)C2
InChIInChI=1S/C11H19NO4/c1-9(2,3)16-8(13)12-10-4-11(14,5-10)7-15-6-10/h14H,4-7H2,1-3H3,(H,12,13)
InChIKeyQXXODSMAZHXPMM-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.81
Rot. Bonds1

About tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate

tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate (PubChem CID 163301402) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
PubChem CID163301402
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12COCC(O)(C1)C2
InChIInChI=1S/C11H19NO4/c1-9(2,3)16-8(13)12-10-4-11(14,5-10)7-15-6-10/h14H,4-7H2,1-3H3,(H,12,13)
InChIKeyQXXODSMAZHXPMM-UHFFFAOYSA-N
XLogP0.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-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-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
tert-butyl N-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
CID 155957698
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
CID 168724937
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxepane-6-carboxylic acid
CID 130559641
tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate;hydrochloride
CID 134819026
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] methanesulfonate
CID 175968512
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
tert-butyl N-[3-(N-tert-butylsulfanyl-C-methylcarbonimidoyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 174004137
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
CID 157038702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate (CID 163301402) is tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate is CC(C)(C)OC(=O)NC12COCC(O)(C1)C2.
What is the InChIKey of tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate?
The InChIKey is QXXODSMAZHXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(2,3)16-8(13)12-10-4-11(14,5-10)7-15-6-10/h14H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate?
tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate has a molecular weight of 229.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate is sourced from PubChem (CID 163301402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).