N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide

C13H22N2O2 — CID 114247391

IUPACN-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)14-12(17)15-6-8-4-7-5-9(8)10(15)11(7)16/h7-11,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyKOOMFLDLDOTOJI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds

About N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide

N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide (PubChem CID 114247391) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
PubChem CID114247391
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)14-12(17)15-6-8-4-7-5-9(8)10(15)11(7)16/h7-11,16H,4-6H2,1-3H3,(H,14,17)
InChIKeyKOOMFLDLDOTOJI-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The IUPAC name of N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide (CID 114247391) is N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide is CC(C)(C)NC(=O)N1CC2CC3CC2C1C3O.
What is the InChIKey of N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
The InChIKey is KOOMFLDLDOTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)14-12(17)15-6-8-4-7-5-9(8)10(15)11(7)16/h7-11,16H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide?
N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carboxamide is sourced from PubChem (CID 114247391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).