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

C9H15NO3 — CID 22253735

IUPAC2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
SMILESCC(C)(C)N1C(=O)CC1CC(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-6(4-7(10)11)5-8(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyOZSZUQRQZWEDIH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds2

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

2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid (PubChem CID 22253735) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
PubChem CID22253735
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
SMILESCC(C)(C)N1C(=O)CC1CC(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-6(4-7(10)11)5-8(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyOZSZUQRQZWEDIH-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
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-4-oxoazetidin-2-yl)acetic acid?
The IUPAC name of 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid (CID 22253735) is 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid is CC(C)(C)N1C(=O)CC1CC(=O)O.
What is the InChIKey of 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid?
The InChIKey is OZSZUQRQZWEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)10-6(4-7(10)11)5-8(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid?
2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid is sourced from PubChem (CID 22253735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).