methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate

C11H13NO4 — CID 139083678

IUPACmethyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@]1(O)C[C@H](c2ccccc2)NO1
InChIInChI=1S/C11H13NO4/c1-15-10(13)11(14)7-9(12-16-11)8-5-3-2-4-6-8/h2-6,9,12,14H,7H2,1H3/t9-,11-/m1/s1
InChIKeyFLBMBRYUHHMWMG-MWLCHTKSSA-N
MW223.23 g/mol
LogP0.51
Rot. Bonds2

About methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate

methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 139083678) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
PubChem CID139083678
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@@]1(O)C[C@H](c2ccccc2)NO1
InChIInChI=1S/C11H13NO4/c1-15-10(13)11(14)7-9(12-16-11)8-5-3-2-4-6-8/h2-6,9,12,14H,7H2,1H3/t9-,11-/m1/s1
InChIKeyFLBMBRYUHHMWMG-MWLCHTKSSA-N
XLogP0.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate (CID 139083678) is methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate is COC(=O)[C@@]1(O)C[C@H](c2ccccc2)NO1.
What is the InChIKey of methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is FLBMBRYUHHMWMG-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)11(14)7-9(12-16-11)8-5-3-2-4-6-8/h2-6,9,12,14H,7H2,1H3/t9-,11-/m1/s1.
What are the key properties of methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate?
methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-5-hydroxy-3-phenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 139083678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).