N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane

C12H20N2O6 — CID 142439155

IUPACN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane
SMILESCN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.COC
InChIInChI=1S/C10H14N2O5.C2H6O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-3-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);1-2H3
InChIKeyJFICQTASEOECMG-UHFFFAOYSA-N
MW288.30 g/mol
LogP-1.17
Rot. Bonds3

About N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane

N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane (PubChem CID 142439155) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane.

Molecular Properties

Compound NameN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane
PubChem CID142439155
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC NameN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane
SMILESCN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.COC
InChIInChI=1S/C10H14N2O5.C2H6O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-3-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);1-2H3
InChIKeyJFICQTASEOECMG-UHFFFAOYSA-N
XLogP-1.17
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane?
The IUPAC name of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane (CID 142439155) is N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane.
What is the SMILES notation for N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane?
The canonical SMILES for N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane is CN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.COC.
What is the InChIKey of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane?
The InChIKey is JFICQTASEOECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5.C2H6O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-3-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);1-2H3.
What are the key properties of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane?
N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane has a molecular weight of 288.30 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methoxymethane is sourced from PubChem (CID 142439155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).