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

C8H14N2O2 — CID 25241459

IUPAC(2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])[C@@]([2H])(C(N)=O)N1CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1/i1D3,2D2,6D
InChIKeyHPHUVLMMVZITSG-QCIDAUEHSA-N
MW176.25 g/mol
LogP-0.13
Rot. Bonds4

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

(2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 25241459) has the molecular formula C8H14N2O2 and a molecular weight of 176.25 g/mol. Its IUPAC name is (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID25241459
Molecular FormulaC8H14N2O2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name(2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])[C@@]([2H])(C(N)=O)N1CCCC1=O
InChIInChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1/i1D3,2D2,6D
InChIKeyHPHUVLMMVZITSG-QCIDAUEHSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-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

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide (CID 25241459) is (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide is [2H]C([2H])([2H])C([2H])([2H])[C@@]([2H])(C(N)=O)N1CCCC1=O.
What is the InChIKey of (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HPHUVLMMVZITSG-QCIDAUEHSA-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)/t6-/m0/s1/i1D3,2D2,6D.
What are the key properties of (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 176.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3,4,4,4-hexadeuterio-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 25241459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).