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

C9H17NO4 — CID 131860327

IUPACethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](OCC)ON1C
InChIInChI=1S/C9H17NO4/c1-4-12-8-6-7(10(3)14-8)9(11)13-5-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyDLIRHJKYVZPCLU-SFYZADRCSA-N
MW203.24 g/mol
LogP0.55
Rot. Bonds4

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

ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate (PubChem CID 131860327) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate
PubChem CID131860327
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](OCC)ON1C
InChIInChI=1S/C9H17NO4/c1-4-12-8-6-7(10(3)14-8)9(11)13-5-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyDLIRHJKYVZPCLU-SFYZADRCSA-N
XLogP0.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate (CID 131860327) is ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1C[C@@H](OCC)ON1C.
What is the InChIKey of ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is DLIRHJKYVZPCLU-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-12-8-6-7(10(3)14-8)9(11)13-5-2/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate?
ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 131860327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).