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

C9H17NO4 — CID 20792948

IUPACtert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-4-13-5-7(6)11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7-/m0/s1
InChIKeySFIADDJLFYFDGK-BQBZGAKWSA-N
MW203.24 g/mol
LogP0.27
Rot. Bonds1

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

tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 20792948) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
PubChem CID20792948
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nametert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-4-13-5-7(6)11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7-/m0/s1
InChIKeySFIADDJLFYFDGK-BQBZGAKWSA-N
XLogP0.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate (CID 20792948) is tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is SFIADDJLFYFDGK-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(12)10-6-4-13-5-7(6)11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7-/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 20792948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).