ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate

C10H17NO3 — CID 134957503

IUPACethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)CC1(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-9(13)5-6-11-8(12)7-10(11,2)3/h4-7H2,1-3H3
InChIKeyZFEKBHWJECAWAL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

About ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate

ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate (PubChem CID 134957503) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate
PubChem CID134957503
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate
SMILESCCOC(=O)CCN1C(=O)CC1(C)C
InChIInChI=1S/C10H17NO3/c1-4-14-9(13)5-6-11-8(12)7-10(11,2)3/h4-7H2,1-3H3
InChIKeyZFEKBHWJECAWAL-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate (CID 134957503) is ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate is CCOC(=O)CCN1C(=O)CC1(C)C.
What is the InChIKey of ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate?
The InChIKey is ZFEKBHWJECAWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-9(13)5-6-11-8(12)7-10(11,2)3/h4-7H2,1-3H3.
What are the key properties of ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate?
ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethyl-4-oxoazetidin-1-yl)propanoate is sourced from PubChem (CID 134957503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).