tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid

C11H21NO3 — CID 118638510

IUPACtert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
SMILESCC1CC(N(C(=O)O)C(C)(C)C)C(C)O1
InChIInChI=1S/C11H21NO3/c1-7-6-9(8(2)15-7)12(10(13)14)11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14)
InChIKeyHWABXWDOBFIZCE-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.33
Rot. Bonds1

About tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid

tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid (PubChem CID 118638510) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
PubChem CID118638510
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
SMILESCC1CC(N(C(=O)O)C(C)(C)C)C(C)O1
InChIInChI=1S/C11H21NO3/c1-7-6-9(8(2)15-7)12(10(13)14)11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14)
InChIKeyHWABXWDOBFIZCE-UHFFFAOYSA-N
XLogP2.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid 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-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamic acid
CID 45091996
tert-butyl(6-oxabicyclo[3.1.0]hexan-3-yl)carbamic acid
CID 130431191
2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
CID 130820242
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
CID 69297604
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
CID 146156377
tert-butyl(oxiran-2-yl)carbamic acid
CID 151051342
tert-butyl-(3-hydroxypiperidin-4-yl)carbamic acid
CID 67307566
2-(2,5-dimethyloxolan-3-yl)-2-hydroxypropanoic acid
CID 130917950
tert-butyl-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035009
tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898
tert-butyl-(3-morpholin-4-ylcyclobutyl)carbamic acid
CID 175312691

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid?
The IUPAC name of tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid (CID 118638510) is tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid?
The canonical SMILES for tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid is CC1CC(N(C(=O)O)C(C)(C)C)C(C)O1.
What is the InChIKey of tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid?
The InChIKey is HWABXWDOBFIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-6-9(8(2)15-7)12(10(13)14)11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid?
tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid has a molecular weight of 215.29 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid is sourced from PubChem (CID 118638510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).