2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid

C7H11NO4 — CID 13374060

IUPAC2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
SMILESCC(O)C1C(=O)NC1CC(=O)O
InChIInChI=1S/C7H11NO4/c1-3(9)6-4(2-5(10)11)8-7(6)12/h3-4,6,9H,2H2,1H3,(H,8,12)(H,10,11)
InChIKeyREGXBORXMBCYRK-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.04
Rot. Bonds3

About 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid

2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid (PubChem CID 13374060) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
PubChem CID13374060
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid
SMILESCC(O)C1C(=O)NC1CC(=O)O
InChIInChI=1S/C7H11NO4/c1-3(9)6-4(2-5(10)11)8-7(6)12/h3-4,6,9H,2H2,1H3,(H,8,12)(H,10,11)
InChIKeyREGXBORXMBCYRK-UHFFFAOYSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid?
The IUPAC name of 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid (CID 13374060) is 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid?
The canonical SMILES for 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid is CC(O)C1C(=O)NC1CC(=O)O.
What is the InChIKey of 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid?
The InChIKey is REGXBORXMBCYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3(9)6-4(2-5(10)11)8-7(6)12/h3-4,6,9H,2H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid?
2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid has a molecular weight of 173.17 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]acetic acid is sourced from PubChem (CID 13374060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).