2-(3-hydroxyazetidin-1-yl)acetic acid

C5H9NO3 — CID 63282398

IUPAC2-(3-hydroxyazetidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(O)C1
InChIInChI=1S/C5H9NO3/c7-4-1-6(2-4)3-5(8)9/h4,7H,1-3H2,(H,8,9)
InChIKeyOEEIAGDJEQSNKP-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.25
Rot. Bonds2

About 2-(3-hydroxyazetidin-1-yl)acetic acid

2-(3-hydroxyazetidin-1-yl)acetic acid (PubChem CID 63282398) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)acetic acid
PubChem CID63282398
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-(3-hydroxyazetidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(O)C1
InChIInChI=1S/C5H9NO3/c7-4-1-6(2-4)3-5(8)9/h4,7H,1-3H2,(H,8,9)
InChIKeyOEEIAGDJEQSNKP-UHFFFAOYSA-N
XLogP-1.25
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)acetic acid?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)acetic acid (CID 63282398) is 2-(3-hydroxyazetidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)acetic acid is O=C(O)CN1CC(O)C1.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)acetic acid?
The InChIKey is OEEIAGDJEQSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-4-1-6(2-4)3-5(8)9/h4,7H,1-3H2,(H,8,9).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)acetic acid?
2-(3-hydroxyazetidin-1-yl)acetic acid has a molecular weight of 131.13 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)acetic acid is sourced from PubChem (CID 63282398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).