(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol

C5H11NO3 — CID 71575302

IUPAC(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol
SMILESOC[C@@H]1N[C@H](CO)C1O
InChIInChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5?
InChIKeyAFXIISCXWSSSNF-NGQZWQHPSA-N
MW133.15 g/mol
LogP-2.33
Rot. Bonds2

About (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol

(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol (PubChem CID 71575302) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol.

Molecular Properties

Compound Name(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol
PubChem CID71575302
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol
SMILESOC[C@@H]1N[C@H](CO)C1O
InChIInChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5?
InChIKeyAFXIISCXWSSSNF-NGQZWQHPSA-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 (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol?
The IUPAC name of (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol (CID 71575302) is (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol.
What is the SMILES notation for (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol?
The canonical SMILES for (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol is OC[C@@H]1N[C@H](CO)C1O.
What is the InChIKey of (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol?
The InChIKey is AFXIISCXWSSSNF-NGQZWQHPSA-N. The full InChI is InChI=1S/C5H11NO3/c7-1-3-5(9)4(2-8)6-3/h3-9H,1-2H2/t3-,4+,5?.
What are the key properties of (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol?
(2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol 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 (2S,4R)-2,4-bis(hydroxymethyl)azetidin-3-ol is sourced from PubChem (CID 71575302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).