ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C11H22N2O4 — CID 142438466

IUPACethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCC.CCOCCNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C9H16N2O4.C2H6/c1-2-15-4-3-10-8(13)7-6(12)5-11-9(7)14;1-2/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeySSEGUMTXZJVQGV-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.73
Rot. Bonds5

About ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438466) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142438466
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESCC.CCOCCNC(=O)C1C(=O)NCC1O
InChIInChI=1S/C9H16N2O4.C2H6/c1-2-15-4-3-10-8(13)7-6(12)5-11-9(7)14;1-2/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3
InChIKeySSEGUMTXZJVQGV-UHFFFAOYSA-N
XLogP-0.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-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 ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142438466) is ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is CC.CCOCCNC(=O)C1C(=O)NCC1O.
What is the InChIKey of ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is SSEGUMTXZJVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.C2H6/c1-2-15-4-3-10-8(13)7-6(12)5-11-9(7)14;1-2/h6-7,12H,2-5H2,1H3,(H,10,13)(H,11,14);1-2H3.
What are the key properties of ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethoxyethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).