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

C7H11NO4 — CID 11159595

IUPACmethyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1CCOC1=O
InChIInChI=1S/C7H11NO4/c1-11-6(9)2-3-8-4-5-12-7(8)10/h2-5H2,1H3
InChIKeyVMBQLTXUYUJJCF-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.00
Rot. Bonds3

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

methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (PubChem CID 11159595) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
PubChem CID11159595
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate
SMILESCOC(=O)CCN1CCOC1=O
InChIInChI=1S/C7H11NO4/c1-11-6(9)2-3-8-4-5-12-7(8)10/h2-5H2,1H3
InChIKeyVMBQLTXUYUJJCF-UHFFFAOYSA-N
XLogP0.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The IUPAC name of methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate (CID 11159595) is methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The canonical SMILES for methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is COC(=O)CCN1CCOC1=O.
What is the InChIKey of methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
The InChIKey is VMBQLTXUYUJJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-11-6(9)2-3-8-4-5-12-7(8)10/h2-5H2,1H3.
What are the key properties of methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate?
methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate has a molecular weight of 173.17 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1,3-oxazolidin-3-yl)propanoate is sourced from PubChem (CID 11159595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).