tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate

C11H19NO4 — CID 130763729

IUPACtert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
SMILESC[C@@H]1CC(=O)O[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-9(13)15-8(7)6-12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyXHOSIMRTFODMEA-HTQZYQBOSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate

tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate (PubChem CID 130763729) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
PubChem CID130763729
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate
SMILESC[C@@H]1CC(=O)O[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-7-5-9(13)15-8(7)6-12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyXHOSIMRTFODMEA-HTQZYQBOSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
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tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
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CID 59243421
methyl 2-methyl-2-(4-methyl-2,5-dioxooxolan-3-yl)-3-(3-methyl-5-oxooxolan-2-yl)propanoate
CID 22982305
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
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(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
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tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate (CID 130763729) is tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate is C[C@@H]1CC(=O)O[C@@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate?
The InChIKey is XHOSIMRTFODMEA-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-5-9(13)15-8(7)6-12-10(14)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate?
tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,3R)-3-methyl-5-oxooxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 130763729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).