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

C12H17NO3 — CID 56649709

IUPAC(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C12H17NO3/c14-8-11(16)12-10(15)7-13(12)6-9-4-2-1-3-5-9/h1-5,10-12,14-16H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyKOSWMBSERNGUOT-WOPDTQHZSA-N
MW223.27 g/mol
LogP-0.42
Rot. Bonds4

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

(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol (PubChem CID 56649709) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
PubChem CID56649709
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
SMILESOC[C@H](O)[C@@H]1[C@H](O)CN1Cc1ccccc1
InChIInChI=1S/C12H17NO3/c14-8-11(16)12-10(15)7-13(12)6-9-4-2-1-3-5-9/h1-5,10-12,14-16H,6-8H2/t10-,11+,12+/m1/s1
InChIKeyKOSWMBSERNGUOT-WOPDTQHZSA-N
XLogP-0.42
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R,3R,4R)-1-benzyl-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]ethane-1,2-diol
CID 10961028
(1R,3R,4R,5R,6S)-2-benzyl-3-[(1S)-1,2-dihydroxyethyl]-2-azabicyclo[2.2.1]heptane-5,6-diol
CID 10588744
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
benzyl (2S,3R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidine-1-carboxylate
CID 132603778
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
CID 134865977
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
CID 146513963
1-benzyl-4-hydroxy-5-propan-2-ylpyrrolidine-3-carbonitrile
CID 83851177
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(2R)-2-[(2S)-1-benzylaziridin-2-yl]-2-(dibenzylamino)ethanol
CID 11394671
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol (CID 56649709) is (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol is OC[C@H](O)[C@@H]1[C@H](O)CN1Cc1ccccc1.
What is the InChIKey of (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
The InChIKey is KOSWMBSERNGUOT-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-11(16)12-10(15)7-13(12)6-9-4-2-1-3-5-9/h1-5,10-12,14-16H,6-8H2/t10-,11+,12+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol has a molecular weight of 223.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 56649709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).