tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide

C11H24N2O8 — CID 157057937

IUPACtert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide
SMILESCC(=O)NO.CC(C)(C)OC(=O)NO.CCOC(=O)CO
InChIInChI=1S/C5H11NO3.C4H8O3.C2H5NO2/c1-5(2,3)9-4(7)6-8;1-2-7-4(6)3-5;1-2(4)3-5/h8H,1-3H3,(H,6,7);5H,2-3H2,1H3;5H,1H3,(H,3,4)
InChIKeyAAZBFORANNIPJA-UHFFFAOYSA-N
MW312.32 g/mol
LogP-0.05
Rot. Bonds2

About tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide

tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide (PubChem CID 157057937) has the molecular formula C11H24N2O8 and a molecular weight of 312.32 g/mol. Its IUPAC name is tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide.

Molecular Properties

Compound Nametert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide
PubChem CID157057937
Molecular FormulaC11H24N2O8
Molecular Weight312.32 g/mol
Exact Mass312.15
IUPAC Nametert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide
SMILESCC(=O)NO.CC(C)(C)OC(=O)NO.CCOC(=O)CO
InChIInChI=1S/C5H11NO3.C4H8O3.C2H5NO2/c1-5(2,3)9-4(7)6-8;1-2-7-4(6)3-5;1-2(4)3-5/h8H,1-3H3,(H,6,7);5H,2-3H2,1H3;5H,1H3,(H,3,4)
InChIKeyAAZBFORANNIPJA-UHFFFAOYSA-N
XLogP-0.05
TPSA154.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide?
The IUPAC name of tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide (CID 157057937) is tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide.
What is the SMILES notation for tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide?
The canonical SMILES for tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide is CC(=O)NO.CC(C)(C)OC(=O)NO.CCOC(=O)CO.
What is the InChIKey of tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide?
The InChIKey is AAZBFORANNIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C4H8O3.C2H5NO2/c1-5(2,3)9-4(7)6-8;1-2-7-4(6)3-5;1-2(4)3-5/h8H,1-3H3,(H,6,7);5H,2-3H2,1H3;5H,1H3,(H,3,4).
What are the key properties of tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide?
tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide has a molecular weight of 312.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxycarbamate;ethyl 2-hydroxyacetate;N-hydroxyacetamide is sourced from PubChem (CID 157057937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).