tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate

C12H19N3O3 — CID 138040185

IUPACtert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccnc(N)c1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-7-17-9-4-5-14-10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyJTYOTJZBQLIGGW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate

tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate (PubChem CID 138040185) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate
PubChem CID138040185
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccnc(N)c1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-7-17-9-4-5-14-10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyJTYOTJZBQLIGGW-UHFFFAOYSA-N
XLogP1.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate (CID 138040185) is tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccnc(N)c1.
What is the InChIKey of tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate?
The InChIKey is JTYOTJZBQLIGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-7-17-9-4-5-14-10(13)8-9/h4-5,8H,6-7H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate?
tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-amino-4-pyridinyl)oxy]ethyl]carbamate is sourced from PubChem (CID 138040185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).