tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate

C11H21NO5 — CID 10610491

IUPACtert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate
SMILESC[C@@H](O)[C@H]1OC(O)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-6(13)9-7(5-8(14)16-9)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7+,8?,9-/m1/s1
InChIKeyPQJNUYFEYBGTKI-HCCIXBLDSA-N
MW247.29 g/mol
LogP0.37
Rot. Bonds2

About tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate

tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate (PubChem CID 10610491) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate
PubChem CID10610491
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate
SMILESC[C@@H](O)[C@H]1OC(O)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-6(13)9-7(5-8(14)16-9)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7+,8?,9-/m1/s1
InChIKeyPQJNUYFEYBGTKI-HCCIXBLDSA-N
XLogP0.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate (CID 10610491) is tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate is C[C@@H](O)[C@H]1OC(O)C[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate?
The InChIKey is PQJNUYFEYBGTKI-HCCIXBLDSA-N. The full InChI is InChI=1S/C11H21NO5/c1-6(13)9-7(5-8(14)16-9)12-10(15)17-11(2,3)4/h6-9,13-14H,5H2,1-4H3,(H,12,15)/t6-,7+,8?,9-/m1/s1.
What are the key properties of tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate?
tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate has a molecular weight of 247.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl]carbamate is sourced from PubChem (CID 10610491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).