(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one

C10H15NO3 — CID 11954512

IUPAC(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one
SMILESCC(C)(C)C(=O)N1C[C@H]2C(=O)OC[C@H]21
InChIInChI=1S/C10H15NO3/c1-10(2,3)9(13)11-4-6-7(11)5-14-8(6)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyYUQLIVSHHAFVJT-RNFRBKRXSA-N
MW197.23 g/mol
LogP0.42
Rot. Bonds

About (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one

(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one (PubChem CID 11954512) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one
PubChem CID11954512
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one
SMILESCC(C)(C)C(=O)N1C[C@H]2C(=O)OC[C@H]21
InChIInChI=1S/C10H15NO3/c1-10(2,3)9(13)11-4-6-7(11)5-14-8(6)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyYUQLIVSHHAFVJT-RNFRBKRXSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one?
The IUPAC name of (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one (CID 11954512) is (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one?
The canonical SMILES for (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one is CC(C)(C)C(=O)N1C[C@H]2C(=O)OC[C@H]21.
What is the InChIKey of (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one?
The InChIKey is YUQLIVSHHAFVJT-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)9(13)11-4-6-7(11)5-14-8(6)12/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one?
(1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one has a molecular weight of 197.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(2,2-dimethylpropanoyl)-3-oxa-6-azabicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 11954512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).