tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate

C12H19NO6 — CID 10423418

IUPACtert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
SMILESC=C[C@@H]1OC(=O)O[C@@H]1[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO6/c1-5-8-9(18-11(16)17-8)7(6-14)13-10(15)19-12(2,3)4/h5,7-9,14H,1,6H2,2-4H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyGARTVMKBVDGPMG-HRDYMLBCSA-N
MW273.29 g/mol
LogP0.96
Rot. Bonds4

About tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate (PubChem CID 10423418) has the molecular formula C12H19NO6 and a molecular weight of 273.29 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
PubChem CID10423418
Molecular FormulaC12H19NO6
Molecular Weight273.29 g/mol
Exact Mass273.12
IUPAC Nametert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate
SMILESC=C[C@@H]1OC(=O)O[C@@H]1[C@@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO6/c1-5-8-9(18-11(16)17-8)7(6-14)13-10(15)19-12(2,3)4/h5,7-9,14H,1,6H2,2-4H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyGARTVMKBVDGPMG-HRDYMLBCSA-N
XLogP0.96
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate (CID 10423418) is tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate is C=C[C@@H]1OC(=O)O[C@@H]1[C@@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
The InChIKey is GARTVMKBVDGPMG-HRDYMLBCSA-N. The full InChI is InChI=1S/C12H19NO6/c1-5-8-9(18-11(16)17-8)7(6-14)13-10(15)19-12(2,3)4/h5,7-9,14H,1,6H2,2-4H3,(H,13,15)/t7-,8+,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate has a molecular weight of 273.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(4R,5S)-5-ethenyl-2-oxo-1,3-dioxolan-4-yl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 10423418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).