tert-butyl N-(2-aminooxyethyl)carbamate

C7H16N2O3 — CID 15610443

IUPACtert-butyl N-(2-aminooxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCON
InChIInChI=1S/C7H16N2O3/c1-7(2,3)12-6(10)9-4-5-11-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyJRLJOAREDJOYLW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.40
Rot. Bonds3

About tert-butyl N-(2-aminooxyethyl)carbamate

tert-butyl N-(2-aminooxyethyl)carbamate (PubChem CID 15610443) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is tert-butyl N-(2-aminooxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminooxyethyl)carbamate
PubChem CID15610443
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Nametert-butyl N-(2-aminooxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCON
InChIInChI=1S/C7H16N2O3/c1-7(2,3)12-6(10)9-4-5-11-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyJRLJOAREDJOYLW-UHFFFAOYSA-N
XLogP0.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-aminooxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-aminooxyethyl)carbamate (CID 15610443) is tert-butyl N-(2-aminooxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-aminooxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-aminooxyethyl)carbamate is CC(C)(C)OC(=O)NCCON.
What is the InChIKey of tert-butyl N-(2-aminooxyethyl)carbamate?
The InChIKey is JRLJOAREDJOYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-7(2,3)12-6(10)9-4-5-11-8/h4-5,8H2,1-3H3,(H,9,10).
What are the key properties of tert-butyl N-(2-aminooxyethyl)carbamate?
tert-butyl N-(2-aminooxyethyl)carbamate has a molecular weight of 176.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminooxyethyl)carbamate is sourced from PubChem (CID 15610443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).