N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide

C11H20N2O2 — CID 167135352

IUPACN-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC2CC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-7(2)8(3)12-11(14)13-5-9-4-10(6-13)15-9/h7-10H,4-6H2,1-3H3,(H,12,14)/t8-,9?,10?/m1/s1
InChIKeyDTLJOIPCJFZYBX-XNWIYYODSA-N
MW212.29 g/mol
LogP1.21
Rot. Bonds2

About N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide

N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide (PubChem CID 167135352) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
PubChem CID167135352
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC2CC(C1)O2
InChIInChI=1S/C11H20N2O2/c1-7(2)8(3)12-11(14)13-5-9-4-10(6-13)15-9/h7-10H,4-6H2,1-3H3,(H,12,14)/t8-,9?,10?/m1/s1
InChIKeyDTLJOIPCJFZYBX-XNWIYYODSA-N
XLogP1.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide (CID 167135352) is N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC2CC(C1)O2.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
The InChIKey is DTLJOIPCJFZYBX-XNWIYYODSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)8(3)12-11(14)13-5-9-4-10(6-13)15-9/h7-10H,4-6H2,1-3H3,(H,12,14)/t8-,9?,10?/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide is sourced from PubChem (CID 167135352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).