methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate

C10H17NO4 — CID 11790590

IUPACmethyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C[C@@H](C=O)O[C@@H]1C(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)8-11(9(13)14-4)5-7(6-12)15-8/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeySAUZGIODNFRVSN-JGVFFNPUSA-N
MW215.25 g/mol
LogP1.02
Rot. Bonds1

About methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate

methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11790590) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate
PubChem CID11790590
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C[C@@H](C=O)O[C@@H]1C(C)(C)C
InChIInChI=1S/C10H17NO4/c1-10(2,3)8-11(9(13)14-4)5-7(6-12)15-8/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeySAUZGIODNFRVSN-JGVFFNPUSA-N
XLogP1.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate (CID 11790590) is methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate is COC(=O)N1C[C@@H](C=O)O[C@@H]1C(C)(C)C.
What is the InChIKey of methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SAUZGIODNFRVSN-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)8-11(9(13)14-4)5-7(6-12)15-8/h6-8H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate?
methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-2-tert-butyl-5-formyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11790590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).