tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate

C11H17N3O3 — CID 59478200

IUPACtert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CON)nc1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)17-10(15)14-8-4-5-9(7-16-12)13-6-8/h4-6H,7,12H2,1-3H3,(H,14,15)
InChIKeyHHJDEVVJPNUMTF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.82
Rot. Bonds3

About tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate

tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate (PubChem CID 59478200) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate
PubChem CID59478200
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CON)nc1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)17-10(15)14-8-4-5-9(7-16-12)13-6-8/h4-6H,7,12H2,1-3H3,(H,14,15)
InChIKeyHHJDEVVJPNUMTF-UHFFFAOYSA-N
XLogP1.82
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl pyridin-3-ylcarbamate
CID 694464
Pyridin-2-ylmethyl phenylcarbamate
CID 658831
tert-butyl N-(2-methylpyridin-3-yl)carbamate
CID 68563825
tert-butyl N-[6-(hydroxymethyl)pyridin-3-yl]carbamate
CID 40151875
(2-methyl-3-pyridinyl)methyl N-pyridin-3-ylcarbamate
CID 172436188
tert-Butyl (2-methoxypyridin-3-yl)carbamate
CID 11064075
tert-butyl N-{[2-(hydroxymethyl)pyridin-4-yl]methyl}carbamate
CID 130714309
Methyl 5-(tert-Butoxycarbonylamino)picolinate
CID 14842342
tert-Butyl (6-methylpyridin-3-yl)carbamate
CID 23090429
tert-butyl N-[(6-hydroxymethyl-3-pyridyl)methyl]carbamate
CID 59828921
tert-Butyl(6-azidomethylpyridin-3-yl)carbamate
CID 86074006
Carbamic acid, (2-fluorophenyl)-, 2-pyridinylmethyl ester
CID 23882661

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate (CID 59478200) is tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CON)nc1.
What is the InChIKey of tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate?
The InChIKey is HHJDEVVJPNUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)17-10(15)14-8-4-5-9(7-16-12)13-6-8/h4-6H,7,12H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate?
tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate has a molecular weight of 239.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(aminooxymethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 59478200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).