methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate

C10H19NO4 — CID 146218818

IUPACmethyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate
SMILESCOC(=O)CCOCC1COC(C)(C)N1
InChIInChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyRJIDSYOJOPEUHP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.29
Rot. Bonds5

About methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate

methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate (PubChem CID 146218818) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate
PubChem CID146218818
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate
SMILESCOC(=O)CCOCC1COC(C)(C)N1
InChIInChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyRJIDSYOJOPEUHP-UHFFFAOYSA-N
XLogP0.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl (4S)-2-(tert-Butyl)oxazolidine-4-carboxylate
CID 10921264
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
Bis(acetoxymethyl)oxazolidin
CID 129814396
Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
Methyl 1,3-oxazolidine-4-carboxylate
CID 10855486
methyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 11095331
Methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 14039017
Ethyl 1,3-oxazolidine-4-carboxylate
CID 20437351
(4S)-2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
Methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090330
(S)-methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090331
Methyl 2-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 53885601

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate?
The IUPAC name of methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate (CID 146218818) is methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate.
What is the SMILES notation for methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate?
The canonical SMILES for methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate is COC(=O)CCOCC1COC(C)(C)N1.
What is the InChIKey of methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate?
The InChIKey is RJIDSYOJOPEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2)11-8(7-15-10)6-14-5-4-9(12)13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate?
methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate has a molecular weight of 217.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methoxy]propanoate is sourced from PubChem (CID 146218818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).