methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate

C10H17NO4 — CID 582488

IUPACmethyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3
InChIKeyCUOGQSHIYFHDEM-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate

methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate (PubChem CID 582488) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
PubChem CID582488
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3
InChIKeyCUOGQSHIYFHDEM-UHFFFAOYSA-N
XLogP0.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-
CID 178792
3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (S)-(-)-
CID 179824
3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688220
3-tert-Butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 688221
(4S)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 6932187
tert-butyl (4S,5R)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10966732
3-Tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 43810963
3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (A+-)-
CID 3644090
3-tert-Butyl 4-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 5138497
3-(Tert-butoxycarbonyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 2816276
(S)-Tert-butyl 4-acetyl-2,2-dimethyloxazolidine-3-carboxylate
CID 12988855
(2R,4S)-Methyl 2-tert-butyl-3-formyloxazolidine-4-carboxylate
CID 13523271

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate (CID 582488) is methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(C(C)(C)C)N1C=O.
What is the InChIKey of methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is CUOGQSHIYFHDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3.
What are the key properties of methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate?
methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 582488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).