ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C7H11NO4 — CID 131104163

IUPACethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C7H11NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyRYPLXODFRHLRQV-UHNVWZDZSA-N
MW173.17 g/mol
LogP0.05
Rot. Bonds2

About ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 131104163) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID131104163
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1NC(=O)O[C@@H]1C
InChIInChI=1S/C7H11NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t4-,5+/m1/s1
InChIKeyRYPLXODFRHLRQV-UHNVWZDZSA-N
XLogP0.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 131104163) is ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)[C@H]1NC(=O)O[C@@H]1C.
What is the InChIKey of ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is RYPLXODFRHLRQV-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-11-6(9)5-4(2)12-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t4-,5+/m1/s1.
What are the key properties of ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 131104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).