6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

C12H20N2O3 — CID 114946373

IUPAC6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1COC1
InChIInChI=1S/C12H20N2O3/c1-11(2)9-8(3-4-17-9)12(11,13)10(15)14-7-5-16-6-7/h7-9H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyPKCLXKRNDNVFON-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.36
Rot. Bonds2

About 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide

6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 114946373) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound Name6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID114946373
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
SMILESCC1(C)C2OCCC2C1(N)C(=O)NC1COC1
InChIInChI=1S/C12H20N2O3/c1-11(2)9-8(3-4-17-9)12(11,13)10(15)14-7-5-16-6-7/h7-9H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyPKCLXKRNDNVFON-UHFFFAOYSA-N
XLogP-0.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-cyclooctyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945084
6-amino-7,7-dimethyl-N-(1-oxothian-4-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946664
6-amino-N-(4-ethylcyclohexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945814
7-amino-N-cyclopentyl-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945025
6-amino-N-(1,2-dimethylpiperidin-4-yl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946442
6-amino-7,7-dimethyl-N-(2-methylcyclopentyl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946033
6-amino-N-tert-butyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945014
3-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]oxolane-3-carboxylic acid
CID 114946205
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945178
6-amino-7,7-dimethyl-N-[1-(oxolan-3-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946905
6-amino-N-(cyanomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945766

Frequently Asked Questions

What is the IUPAC name of 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide (CID 114946373) is 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is CC1(C)C2OCCC2C1(N)C(=O)NC1COC1.
What is the InChIKey of 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is PKCLXKRNDNVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2)9-8(3-4-17-9)12(11,13)10(15)14-7-5-16-6-7/h7-9H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide?
6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7,7-dimethyl-N-(oxetan-3-yl)-2-oxabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 114946373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).