tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate

C10H19NO4 — CID 157038702

IUPACtert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(12)11-7-5-14-6-10(7,4)13/h7,13H,5-6H2,1-4H3,(H,11,12)/t7-,10-/m1/s1
InChIKeyZXCOESHIOKPIFY-GMSGAONNSA-N
MW217.26 g/mol
LogP0.66
Rot. Bonds1

About tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate (PubChem CID 157038702) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
PubChem CID157038702
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)O
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(12)11-7-5-14-6-10(7,4)13/h7,13H,5-6H2,1-4H3,(H,11,12)/t7-,10-/m1/s1
InChIKeyZXCOESHIOKPIFY-GMSGAONNSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 2-[(4S)-4-hydroxy-4-methyloxolan-3-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate (CID 157038702) is tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)O.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate?
The InChIKey is ZXCOESHIOKPIFY-GMSGAONNSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(12)11-7-5-14-6-10(7,4)13/h7,13H,5-6H2,1-4H3,(H,11,12)/t7-,10-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate is sourced from PubChem (CID 157038702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).