methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate

C7H11NO4 — CID 14683573

IUPACmethyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCN1C(=O)OCC1C(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-8-5(6(9)11-2)4-12-7(8)10/h5H,3-4H2,1-2H3
InChIKeyGQHWIWKSSAUHHA-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.00
Rot. Bonds2

About methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 14683573) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID14683573
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCN1C(=O)OCC1C(=O)OC
InChIInChI=1S/C7H11NO4/c1-3-8-5(6(9)11-2)4-12-7(8)10/h5H,3-4H2,1-2H3
InChIKeyGQHWIWKSSAUHHA-UHFFFAOYSA-N
XLogP0.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
Methyl 2-tert-butyl-3-formyl-1,3-oxazolidine-4-carboxylate
CID 582488
3-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 21700121
3-tert-Butyl 4-methyl 2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
CID 5138497
(2R,4S)-Methyl 2-tert-butyl-3-formyloxazolidine-4-carboxylate
CID 13523271
Methyl 3-methyloxazolidine-4-carboxylate
CID 10701946
(2R,4S)-3-Tert-Butyl 4-Methyl 2-Tert-Butyloxazolidine-3,4-Dicarboxylate
CID 11044392
(2S,4R)-2-(Tert-butyl)-3-formyl-4-oxazolidinecarboxylic acid methyl ester
CID 11830840
3-O-tert-butyl 4-O-methyl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 12993726
Methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate
CID 174446791
Dimethyl 2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 11694437

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 14683573) is methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate is CCN1C(=O)OCC1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is GQHWIWKSSAUHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-8-5(6(9)11-2)4-12-7(8)10/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.17 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 14683573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).