3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide

C10H16N2O4 — CID 142439138

IUPAC3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C)CCC2)C1O
InChIInChI=1S/C10H16N2O4/c1-10(4-3-5-10)11-7(13)6-8(14)12(2)16-9(6)15/h6,8,14H,3-5H2,1-2H3,(H,11,13)
InChIKeyFQRDVJFJJMAZTJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.62
Rot. Bonds2

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

3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439138) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439138
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C)CCC2)C1O
InChIInChI=1S/C10H16N2O4/c1-10(4-3-5-10)11-7(13)6-8(14)12(2)16-9(6)15/h6,8,14H,3-5H2,1-2H3,(H,11,13)
InChIKeyFQRDVJFJJMAZTJ-UHFFFAOYSA-N
XLogP-0.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439138) is 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2(C)CCC2)C1O.
What is the InChIKey of 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is FQRDVJFJJMAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(4-3-5-10)11-7(13)6-8(14)12(2)16-9(6)15/h6,8,14H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).