(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide

C8H14N2O2 — CID 45039653

IUPAC(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C([2H])([2H])C[C@@H](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
InChIKeyHPHUVLMMVZITSG-FYFSCIFKSA-N
MW173.23 g/mol
LogP-0.13
Rot. Bonds4

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

(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 45039653) has the molecular formula C8H14N2O2 and a molecular weight of 173.23 g/mol. Its IUPAC name is (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID45039653
Molecular FormulaC8H14N2O2
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide
SMILES[2H]C([2H])([2H])C[C@@H](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
InChIKeyHPHUVLMMVZITSG-FYFSCIFKSA-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 ≤ 500173.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-aminobutyryl-L-prolinamide
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L-norvalyl-L-prolinamide
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N-Acetylprolinamide
CID 85395

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide (CID 45039653) is (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide is [2H]C([2H])([2H])C[C@@H](C(N)=O)N1CCCC1=O.
What is the InChIKey of (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HPHUVLMMVZITSG-FYFSCIFKSA-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.
What are the key properties of (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 173.23 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)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 45039653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).