tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate

C11H21NO3 — CID 131142792

IUPACtert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate
SMILESCC[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyQQKYATOTTOULLD-IUCAKERBSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds2

About tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate

tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate (PubChem CID 131142792) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate
PubChem CID131142792
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate
SMILESCC[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyQQKYATOTTOULLD-IUCAKERBSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate (CID 131142792) is tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate is CC[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate?
The InChIKey is QQKYATOTTOULLD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-9-8(6-7-14-9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate?
tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-2-ethyloxolan-3-yl]carbamate is sourced from PubChem (CID 131142792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).