tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate

C13H23NO4 — CID 22474786

IUPACtert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3
InChIKeyWEUWWTDIYQIRBX-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds2

About tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate (PubChem CID 22474786) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
PubChem CID22474786
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate
SMILESCCC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3
InChIKeyWEUWWTDIYQIRBX-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
3-Oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4S)-
CID 11305122
tert-butyl (4S,5R)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10966732
1-Tert-butyl 2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 11032528
(R)-tert-Butyl 3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 11108395
Ethyl (2S)-2-((4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)pentanoate
CID 11276570
3-Tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 43810963
tert-butyl (2S)-2-(methoxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 54457529
Tert-butyl 3-acetylmorpholine-4-carboxylate
CID 57741655

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate (CID 22474786) is tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate is CCC(=O)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WEUWWTDIYQIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-7-10(15)9-8-17-13(5,6)14(9)11(16)18-12(2,3)4/h9H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-propanoyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22474786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).