(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate

C10H17NO3 — CID 155104622

IUPAC(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate
SMILESCC(=O)N1CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H17NO3/c1-7(12)11-5-8(6-11)14-9(13)10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyYIHVCAOXTZVWHA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds1

About (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate

(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate (PubChem CID 155104622) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate
PubChem CID155104622
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate
SMILESCC(=O)N1CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H17NO3/c1-7(12)11-5-8(6-11)14-9(13)10(2,3)4/h8H,5-6H2,1-4H3
InChIKeyYIHVCAOXTZVWHA-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate?
The IUPAC name of (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate (CID 155104622) is (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate is CC(=O)N1CC(OC(=O)C(C)(C)C)C1.
What is the InChIKey of (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate?
The InChIKey is YIHVCAOXTZVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11-5-8(6-11)14-9(13)10(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate?
(1-acetylazetidin-3-yl) 2,2-dimethylpropanoate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylazetidin-3-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 155104622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).