2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid

C11H19NO3 — CID 19092957

IUPAC2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid
SMILESCCC1C(=O)N(C(C)(C)C)C1CC(=O)O
InChIInChI=1S/C11H19NO3/c1-5-7-8(6-9(13)14)12(10(7)15)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyOLJVMIAROHWFLJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid

2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid (PubChem CID 19092957) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid
PubChem CID19092957
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid
SMILESCCC1C(=O)N(C(C)(C)C)C1CC(=O)O
InChIInChI=1S/C11H19NO3/c1-5-7-8(6-9(13)14)12(10(7)15)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyOLJVMIAROHWFLJ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid?
The IUPAC name of 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid (CID 19092957) is 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid is CCC1C(=O)N(C(C)(C)C)C1CC(=O)O.
What is the InChIKey of 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid?
The InChIKey is OLJVMIAROHWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-7-8(6-9(13)14)12(10(7)15)11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid?
2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3-ethyl-4-oxoazetidin-2-yl)acetic acid is sourced from PubChem (CID 19092957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).