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

C13H24N2O2 — CID 114945014

IUPAC6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2,3)15-10(16)13(14)8-6-7-17-9(8)12(13,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyFOXGMPNFBCFDAU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds1

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

6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114945014) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114945014
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC(C)(C)NC(=O)C1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2,3)15-10(16)13(14)8-6-7-17-9(8)12(13,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16)
InChIKeyFOXGMPNFBCFDAU-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114946454
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
7-amino-8,8-dimethyl-N-(2-methylbut-3-yn-2-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946117
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-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766
2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]propanoic acid
CID 114945681
6-amino-7,7-dimethyl-N-(1-methylcyclohexyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945890
6-amino-N-(2-cyclobutylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946658
(2R)-2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]butanoic acid
CID 104985262
6-amino-7,7-dimethyl-N-(1-oxothian-4-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946664
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114945014) is 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC(C)(C)NC(=O)C1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is FOXGMPNFBCFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2,3)15-10(16)13(14)8-6-7-17-9(8)12(13,4)5/h8-9H,6-7,14H2,1-5H3,(H,15,16).
What are the key properties of 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114945014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).