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

C9H11N3O4 — CID 142439203

IUPACN-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C#N)CC2)C1O
InChIInChI=1S/C9H11N3O4/c1-12-7(14)5(8(15)16-12)6(13)11-9(4-10)2-3-9/h5,7,14H,2-3H2,1H3,(H,11,13)
InChIKeyHIEDWKUAPUMXSZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.50
Rot. Bonds2

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

N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (PubChem CID 142439203) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
PubChem CID142439203
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide
SMILESCN1OC(=O)C(C(=O)NC2(C#N)CC2)C1O
InChIInChI=1S/C9H11N3O4/c1-12-7(14)5(8(15)16-12)6(13)11-9(4-10)2-3-9/h5,7,14H,2-3H2,1H3,(H,11,13)
InChIKeyHIEDWKUAPUMXSZ-UHFFFAOYSA-N
XLogP-1.50
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide (CID 142439203) is N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is CN1OC(=O)C(C(=O)NC2(C#N)CC2)C1O.
What is the InChIKey of N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
The InChIKey is HIEDWKUAPUMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-12-7(14)5(8(15)16-12)6(13)11-9(4-10)2-3-9/h5,7,14H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide?
N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide has a molecular weight of 225.20 g/mol, XLogP of -1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-3-hydroxy-2-methyl-5-oxo-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142439203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).