6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C9H16N2O2 — CID 114945178

IUPAC6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-8(2)6-5(3-4-13-6)9(8,11)7(10)12/h5-6H,3-4,11H2,1-2H3,(H2,10,12)
InChIKeyAMRAWPQKDZYGAO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.39
Rot. Bonds1

About 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945178) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945178
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-8(2)6-5(3-4-13-6)9(8,11)7(10)12/h5-6H,3-4,11H2,1-2H3,(H2,10,12)
InChIKeyAMRAWPQKDZYGAO-UHFFFAOYSA-N
XLogP-0.39
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
6-amino-N-cyclopropyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945284
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
6-amino-N-cyclobutyl-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946822
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946373
6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 114945389
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114946309
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945178) is 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(N)=O.
What is the InChIKey of 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is AMRAWPQKDZYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)6-5(3-4-13-6)9(8,11)7(10)12/h5-6H,3-4,11H2,1-2H3,(H2,10,12).
What are the key properties of 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).