2-(2-oxoazetidin-1-yl)propanoic acid

C6H9NO3 — CID 19382619

IUPAC2-(2-oxoazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC1=O
InChIInChI=1S/C6H9NO3/c1-4(6(9)10)7-3-2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDNEXDSTVUVWWKW-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.31
Rot. Bonds2

About 2-(2-oxoazetidin-1-yl)propanoic acid

2-(2-oxoazetidin-1-yl)propanoic acid (PubChem CID 19382619) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)propanoic acid
PubChem CID19382619
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(2-oxoazetidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC1=O
InChIInChI=1S/C6H9NO3/c1-4(6(9)10)7-3-2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChIKeyDNEXDSTVUVWWKW-UHFFFAOYSA-N
XLogP-0.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)propanoic acid?
The IUPAC name of 2-(2-oxoazetidin-1-yl)propanoic acid (CID 19382619) is 2-(2-oxoazetidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)propanoic acid?
The InChIKey is DNEXDSTVUVWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(6(9)10)7-3-2-5(7)8/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(2-oxoazetidin-1-yl)propanoic acid?
2-(2-oxoazetidin-1-yl)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)propanoic acid is sourced from PubChem (CID 19382619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).