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

C12H21NO3 — CID 170016561

IUPAC2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate
SMILESCCC(=O)OCCN1C(=O)C(C)(CC)C1C
InChIInChI=1S/C12H21NO3/c1-5-10(14)16-8-7-13-9(3)12(4,6-2)11(13)15/h9H,5-8H2,1-4H3
InChIKeySAOJMXBJWHLORO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds5

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

2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate (PubChem CID 170016561) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate.

Molecular Properties

Compound Name2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate
PubChem CID170016561
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate
SMILESCCC(=O)OCCN1C(=O)C(C)(CC)C1C
InChIInChI=1S/C12H21NO3/c1-5-10(14)16-8-7-13-9(3)12(4,6-2)11(13)15/h9H,5-8H2,1-4H3
InChIKeySAOJMXBJWHLORO-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(3,3-diethyl-2,4-dioxoazetidin-1-yl)acetate
CID 21823504
Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
2-(2,2-Dimethyl-4-oxoazetidin-1-yl)ethyl 2,2-dimethylpropanoate
CID 162414642
(1,3,3-Trimethyl-4-oxoazetidin-2-yl)methyl 2,2-dimethylbutanoate
CID 59933630
2-(2-Oxoazetidin-1-yl)propyl butanoate
CID 70410410
N,3,3-trimethyl-N-(oxetan-3-yl)butanamide
CID 118084467
Ethyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 54896163
Ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 62678817

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate?
The IUPAC name of 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate (CID 170016561) is 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate.
What is the SMILES notation for 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate?
The canonical SMILES for 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate is CCC(=O)OCCN1C(=O)C(C)(CC)C1C.
What is the InChIKey of 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate?
The InChIKey is SAOJMXBJWHLORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-10(14)16-8-7-13-9(3)12(4,6-2)11(13)15/h9H,5-8H2,1-4H3.
What are the key properties of 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate?
2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,3-dimethyl-4-oxoazetidin-1-yl)ethyl propanoate is sourced from PubChem (CID 170016561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).