methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate

C7H13NO4 — CID 54525621

IUPACmethyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(O)O[C@H]1C
InChIInChI=1S/C7H13NO4/c1-4-5(6(9)11-3)8-7(2,10)12-4/h4-5,8,10H,1-3H3/t4-,5?,7?/m0/s1
InChIKeyYSXGUBIGVJXTKU-JZMYEYFNSA-N
MW175.18 g/mol
LogP-0.80
Rot. Bonds1

About methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate

methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 54525621) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID54525621
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1NC(C)(O)O[C@H]1C
InChIInChI=1S/C7H13NO4/c1-4-5(6(9)11-3)8-7(2,10)12-4/h4-5,8,10H,1-3H3/t4-,5?,7?/m0/s1
InChIKeyYSXGUBIGVJXTKU-JZMYEYFNSA-N
XLogP-0.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate (CID 54525621) is methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1NC(C)(O)O[C@H]1C.
What is the InChIKey of methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is YSXGUBIGVJXTKU-JZMYEYFNSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-5(6(9)11-3)8-7(2,10)12-4/h4-5,8,10H,1-3H3/t4-,5?,7?/m0/s1.
What are the key properties of methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate?
methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 175.18 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-hydroxy-2,5-dimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 54525621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).