tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate

C13H18N2O5 — CID 162376460

IUPACtert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)[C@@H](CCO)c1coc(C#N)c1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15(18)11(4-5-16)9-6-10(7-14)19-8-9/h6,8,11,16,18H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyAGJZHEWCGGDIPV-NSHDSACASA-N
MW282.30 g/mol
LogP2.20
Rot. Bonds4

About tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate

tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate (PubChem CID 162376460) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate
PubChem CID162376460
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nametert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)[C@@H](CCO)c1coc(C#N)c1
InChIInChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15(18)11(4-5-16)9-6-10(7-14)19-8-9/h6,8,11,16,18H,4-5H2,1-3H3/t11-/m0/s1
InChIKeyAGJZHEWCGGDIPV-NSHDSACASA-N
XLogP2.20
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate (CID 162376460) is tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate is CC(C)(C)OC(=O)N(O)[C@@H](CCO)c1coc(C#N)c1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate?
The InChIKey is AGJZHEWCGGDIPV-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15(18)11(4-5-16)9-6-10(7-14)19-8-9/h6,8,11,16,18H,4-5H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate?
tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate has a molecular weight of 282.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-cyanofuran-3-yl)-3-hydroxypropyl]-N-hydroxycarbamate is sourced from PubChem (CID 162376460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).