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

C6H13NO2 — CID 163689253

IUPAC(1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol
SMILESC[C@@H]1CNC1[C@@H](O)CO
InChIInChI=1S/C6H13NO2/c1-4-2-7-6(4)5(9)3-8/h4-9H,2-3H2,1H3/t4-,5+,6?/m1/s1
InChIKeyJRNHGGHXRHSBJA-XSYQQOMZSA-N
MW131.17 g/mol
LogP-1.05
Rot. Bonds2

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

(1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol (PubChem CID 163689253) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol
PubChem CID163689253
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol
SMILESC[C@@H]1CNC1[C@@H](O)CO
InChIInChI=1S/C6H13NO2/c1-4-2-7-6(4)5(9)3-8/h4-9H,2-3H2,1H3/t4-,5+,6?/m1/s1
InChIKeyJRNHGGHXRHSBJA-XSYQQOMZSA-N
XLogP-1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol (CID 163689253) is (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol is C[C@@H]1CNC1[C@@H](O)CO.
What is the InChIKey of (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol?
The InChIKey is JRNHGGHXRHSBJA-XSYQQOMZSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-2-7-6(4)5(9)3-8/h4-9H,2-3H2,1H3/t4-,5+,6?/m1/s1.
What are the key properties of (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol?
(1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol has a molecular weight of 131.17 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-3-methylazetidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 163689253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).