2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide

C8H14N2O2 — CID 131674229

IUPAC2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C1([2H])C(=O)N(C(CC)C(N)=O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/i3D2,4D2,5D2
InChIKeyHPHUVLMMVZITSG-RUJHVMJGSA-N
MW176.25 g/mol
LogP-0.13
Rot. Bonds3

About 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide

2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide (PubChem CID 131674229) has the molecular formula C8H14N2O2 and a molecular weight of 176.25 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide
PubChem CID131674229
Molecular FormulaC8H14N2O2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C1([2H])C(=O)N(C(CC)C(N)=O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/i3D2,4D2,5D2
InChIKeyHPHUVLMMVZITSG-RUJHVMJGSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

Piracetam
CID 4843
Levetiracetam
CID 5284583
alpha-ethyl-2-oxo-1-Pyrrolidineacetamide
CID 59708
Pramiracetam
CID 51712
Etiracetam, (R)-
CID 441341
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-2-oxo-
CID 3048833
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norvalyl-L-prolinamide
CID 11687141
N-Acetylprolinamide
CID 85395

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide (CID 131674229) is 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide is [2H]C1([2H])C(=O)N(C(CC)C(N)=O)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HPHUVLMMVZITSG-RUJHVMJGSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/i3D2,4D2,5D2.
What are the key properties of 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide?
2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide has a molecular weight of 176.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4-hexadeuterio-5-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 131674229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).