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

C9H14N2O4 — CID 142439084

IUPAC3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1(NC(=O)C2C(=O)ONC2O)CCC1
InChIInChI=1S/C9H14N2O4/c1-9(3-2-4-9)10-6(12)5-7(13)11-15-8(5)14/h5,7,11,13H,2-4H2,1H3,(H,10,12)
InChIKeySMZDSOFETSBMKW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.96
Rot. Bonds2

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

3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439084) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439084
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCC1(NC(=O)C2C(=O)ONC2O)CCC1
InChIInChI=1S/C9H14N2O4/c1-9(3-2-4-9)10-6(12)5-7(13)11-15-8(5)14/h5,7,11,13H,2-4H2,1H3,(H,10,12)
InChIKeySMZDSOFETSBMKW-UHFFFAOYSA-N
XLogP-0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
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-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439084) is 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide is CC1(NC(=O)C2C(=O)ONC2O)CCC1.
What is the InChIKey of 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is SMZDSOFETSBMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(3-2-4-9)10-6(12)5-7(13)11-15-8(5)14/h5,7,11,13H,2-4H2,1H3,(H,10,12).
What are the key properties of 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide?
3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methylcyclobutyl)-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).