3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane

C10H19N2O2- — CID 20683178

IUPAC3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1C2C(N1[O-])C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H19N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,14H,1-5H3/q-1
InChIKeyGPKLAWUXUFWTTA-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.44
Rot. Bonds

About 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane

3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 20683178) has the molecular formula C10H19N2O2- and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane
PubChem CID20683178
Molecular FormulaC10H19N2O2-
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane
SMILESCC1C2C(N1[O-])C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H19N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,14H,1-5H3/q-1
InChIKeyGPKLAWUXUFWTTA-UHFFFAOYSA-N
XLogP1.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683176
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
CID 20683177
CID 59967306
CID 59967306
CID 59967307
CID 59967307
3,6-Dihydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 90904449
CID 59967308
CID 59967308

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane (CID 20683178) is 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane is CC1C2C(N1[O-])C(C)(C)N(O)C2(C)C.
What is the InChIKey of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is GPKLAWUXUFWTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,14H,1-5H3/q-1.
What are the key properties of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane?
3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 199.27 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 20683178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).