4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C9H15NO5 — CID 67191035

IUPAC4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOC(=O)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2)10(8(12)13)6(5-15-9)4-7(11)14-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXBKSMFLRXYPBKL-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.66
Rot. Bonds2

About 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67191035) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID67191035
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOC(=O)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C9H15NO5/c1-9(2)10(8(12)13)6(5-15-9)4-7(11)14-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXBKSMFLRXYPBKL-UHFFFAOYSA-N
XLogP0.66
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid with MolForge

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Related Compounds

2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 11622884
methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 134919429
methyl (2R,4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 101924407
Methyl(S)-3-Boc-2,2-dimethyloxazolidine-4-acetate
CID 10923729
(2-Oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl butanoate
CID 14241810
[(5R)-2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl]methyl butanoate
CID 14241811
2,2-Dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
CID 22352307
4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 22352321
Tert-butyl-(2-oxooxolan-3-yl)carbamic acid
CID 53435724
2-[(2R,4R)-2-tert-butyl-3-formyl-4-methyl-1,3-oxazolidin-4-yl]acetic acid
CID 53860479
Tert-butyl 4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate
CID 67191128
3-(2-Ethoxy-2-oxoethyl)morpholine-4-carboxylic acid
CID 68293280

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 67191035) is 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is COC(=O)CC1COC(C)(C)N1C(=O)O.
What is the InChIKey of 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is XBKSMFLRXYPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2)10(8(12)13)6(5-15-9)4-7(11)14-3/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67191035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).