(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol

C5H11NO3 — CID 56651208

IUPAC(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1NC[C@H]1O
InChIInChI=1S/C5H11NO3/c7-2-4(9)5-3(8)1-6-5/h3-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyZHKBAXKKOKQMPN-WDCZJNDASA-N
MW133.15 g/mol
LogP-2.33
Rot. Bonds2

About (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol

(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol (PubChem CID 56651208) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
PubChem CID56651208
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1NC[C@H]1O
InChIInChI=1S/C5H11NO3/c7-2-4(9)5-3(8)1-6-5/h3-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyZHKBAXKKOKQMPN-WDCZJNDASA-N
XLogP-2.33
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The IUPAC name of (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol (CID 56651208) is (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol is OC[C@@H](O)[C@H]1NC[C@H]1O.
What is the InChIKey of (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The InChIKey is ZHKBAXKKOKQMPN-WDCZJNDASA-N. The full InChI is InChI=1S/C5H11NO3/c7-2-4(9)5-3(8)1-6-5/h3-9H,1-2H2/t3-,4-,5+/m1/s1.
What are the key properties of (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
(1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol has a molecular weight of 133.15 g/mol, XLogP of -2.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3R)-3-hydroxyazetidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 56651208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).