2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate

C10H17NO3 — CID 19993909

IUPAC2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate
SMILESCC(=O)OCCC1NC(=O)C1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)9-8(11-10(9)13)4-5-14-7(3)12/h6,8-9H,4-5H2,1-3H3,(H,11,13)
InChIKeyFWRWQBHCOSRMFY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds4

About 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate

2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate (PubChem CID 19993909) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate
PubChem CID19993909
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate
SMILESCC(=O)OCCC1NC(=O)C1C(C)C
InChIInChI=1S/C10H17NO3/c1-6(2)9-8(11-10(9)13)4-5-14-7(3)12/h6,8-9H,4-5H2,1-3H3,(H,11,13)
InChIKeyFWRWQBHCOSRMFY-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate?
The IUPAC name of 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate (CID 19993909) is 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate.
What is the SMILES notation for 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate?
The canonical SMILES for 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate is CC(=O)OCCC1NC(=O)C1C(C)C.
What is the InChIKey of 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate?
The InChIKey is FWRWQBHCOSRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6(2)9-8(11-10(9)13)4-5-14-7(3)12/h6,8-9H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate?
2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate has a molecular weight of 199.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propan-2-ylazetidin-2-yl)ethyl acetate is sourced from PubChem (CID 19993909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).