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

C11H18N2O6 — CID 142439091

IUPACN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
SMILESCN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.CO
InChIInChI=1S/C10H14N2O5.CH4O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);2H,1H3
InChIKeyCFETZRGBXFDPAB-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.83
Rot. Bonds3

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

N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol (PubChem CID 142439091) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol.

Molecular Properties

Compound NameN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
PubChem CID142439091
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC NameN-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol
SMILESCN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.CO
InChIInChI=1S/C10H14N2O5.CH4O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);2H,1H3
InChIKeyCFETZRGBXFDPAB-UHFFFAOYSA-N
XLogP-1.83
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
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;methanol?
The IUPAC name of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol (CID 142439091) is N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol.
What is the SMILES notation for N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
The canonical SMILES for N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol is CN1OC(=O)C(C(=O)NC2(C=O)CCC2)C1O.CO.
What is the InChIKey of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
The InChIKey is CFETZRGBXFDPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5.CH4O/c1-12-8(15)6(9(16)17-12)7(14)11-10(5-13)3-2-4-10;1-2/h5-6,8,15H,2-4H2,1H3,(H,11,14);2H,1H3.
What are the key properties of N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol?
N-(1-formylcyclobutyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide;methanol has a molecular weight of 274.27 g/mol, XLogP of -1.83, 3 rotatable bonds, 3 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;methanol is sourced from PubChem (CID 142439091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).