methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate

C9H15NO4 — CID 79629755

IUPACmethyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,7(11)13-3)6-10-4-5-14-8(10)12/h4-6H2,1-3H3
InChIKeyGBSPVADTQJTKAJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.64
Rot. Bonds3

About methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate

methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (PubChem CID 79629755) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
PubChem CID79629755
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCOC(=O)C(C)(C)CN1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,7(11)13-3)6-10-4-5-14-8(10)12/h4-6H2,1-3H3
InChIKeyGBSPVADTQJTKAJ-UHFFFAOYSA-N
XLogP0.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Oxo-1,3-oxazolidin-3-yl)propanoic acid
CID 28395428
3-(2,2-Dimethylpropanoyl)-1,3-oxazolidin-2-one
CID 9989671
Methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
CID 11159595
methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 134919429
1,3-Oxazolane-3-carboxylic acid, 4-(acetyloxy)-2-(1,1-dimethylethyl)-, methyl ester
CID 567644
methyl (2R,4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 101924407
3-(2-oxo-1,3-oxazolidin-3-yl)propyl Acetate
CID 11116771
3-(2,2-Dimethylpropyl)-1,3-oxazolidin-2-one
CID 20450595
Methyl 3-(3-methyl-1,3-oxazolidin-3-ium-3-yl)propanoate
CID 58152808
2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl propanoate
CID 68023568
2,2-Dimethyl-1-(1,3-oxazolidin-3-yl)propan-1-one
CID 68250795
2,2-Dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanal
CID 87093982

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (CID 79629755) is methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is COC(=O)C(C)(C)CN1CCOC1=O.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The InChIKey is GBSPVADTQJTKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,7(11)13-3)6-10-4-5-14-8(10)12/h4-6H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate has a molecular weight of 201.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is sourced from PubChem (CID 79629755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).