(3R,4S)-4-phenylazetidine-2,3-diol

C9H11NO2 — CID 143371351

IUPAC(3R,4S)-4-phenylazetidine-2,3-diol
SMILESOC1N[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C9H11NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-12H/t7-,8+,9?/m0/s1
InChIKeyVRBGZCFUKANPIE-ZQTLJVIJSA-N
MW165.19 g/mol
LogP0.01
Rot. Bonds1

About (3R,4S)-4-phenylazetidine-2,3-diol

(3R,4S)-4-phenylazetidine-2,3-diol (PubChem CID 143371351) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3R,4S)-4-phenylazetidine-2,3-diol.

Molecular Properties

Compound Name(3R,4S)-4-phenylazetidine-2,3-diol
PubChem CID143371351
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3R,4S)-4-phenylazetidine-2,3-diol
SMILESOC1N[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C9H11NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-12H/t7-,8+,9?/m0/s1
InChIKeyVRBGZCFUKANPIE-ZQTLJVIJSA-N
XLogP0.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenylazetidine-2,3-diol?
The IUPAC name of (3R,4S)-4-phenylazetidine-2,3-diol (CID 143371351) is (3R,4S)-4-phenylazetidine-2,3-diol.
What is the SMILES notation for (3R,4S)-4-phenylazetidine-2,3-diol?
The canonical SMILES for (3R,4S)-4-phenylazetidine-2,3-diol is OC1N[C@@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (3R,4S)-4-phenylazetidine-2,3-diol?
The InChIKey is VRBGZCFUKANPIE-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H11NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-12H/t7-,8+,9?/m0/s1.
What are the key properties of (3R,4S)-4-phenylazetidine-2,3-diol?
(3R,4S)-4-phenylazetidine-2,3-diol has a molecular weight of 165.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenylazetidine-2,3-diol is sourced from PubChem (CID 143371351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).