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

C9H15NO4 — CID 102337663

IUPACmethyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@](C)(C=O)ON1C
InChIInChI=1S/C9H15NO4/c1-8(6-11)5-9(2,7(12)13-4)10(3)14-8/h6H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyHYMHTNZGHJEAQF-DTWKUNHWSA-N
MW201.22 g/mol
LogP0.14
Rot. Bonds2

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

methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate (PubChem CID 102337663) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate
PubChem CID102337663
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@](C)(C=O)ON1C
InChIInChI=1S/C9H15NO4/c1-8(6-11)5-9(2,7(12)13-4)10(3)14-8/h6H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyHYMHTNZGHJEAQF-DTWKUNHWSA-N
XLogP0.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-methylbicyclo[1.1.0]butane-1-carboxylate
CID 12586517
methyl 1,2,2-trimethylcyclopropane-1-carboxylate
CID 15129471
methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate
CID 102337656
dimethyl 5-cyano-2,5-dimethyl-1,2-oxazolidine-3,3-dicarboxylate
CID 602936
dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
methyl (2S)-1,2-dimethyl-4-oxopyrrolidine-2-carboxylate
CID 154177184
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
methyl 1-ethyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842789
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
dimethyl 3-methyl-9-oxo-3-azabicyclo[3.3.1]nonane-1,5-dicarboxylate;hydrochloride
CID 155893158
methyl 3,4-dimethyloxolane-3-carboxylate
CID 132519083
1-O-tert-butyl 2-O,6-O-dimethyl (2S,6R)-2,6-dimethylpiperidine-1,2,6-tricarboxylate
CID 15212625

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate (CID 102337663) is methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate is COC(=O)[C@@]1(C)C[C@@](C)(C=O)ON1C.
What is the InChIKey of methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is HYMHTNZGHJEAQF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO4/c1-8(6-11)5-9(2,7(12)13-4)10(3)14-8/h6H,5H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate?
methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-5-formyl-2,3,5-trimethyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 102337663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).