(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one

C11H19NO2 — CID 118697761

IUPAC(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one
SMILES[2H]C([2H])(C)C[C@@H]1CC(=O)N([C@@H](C)C(C)=O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-10-6-11(14)12(7-10)8(2)9(3)13/h8,10H,4-7H2,1-3H3/t8-,10+/m0/s1/i4D2
InChIKeyJABLFRNMDDYKJG-UKTKCYQOSA-N
MW199.29 g/mol
LogP1.61
Rot. Bonds4

About (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one

(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one (PubChem CID 118697761) has the molecular formula C11H19NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one
PubChem CID118697761
Molecular FormulaC11H19NO2
Molecular Weight199.29 g/mol
Exact Mass199.15
IUPAC Name(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one
SMILES[2H]C([2H])(C)C[C@@H]1CC(=O)N([C@@H](C)C(C)=O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-10-6-11(14)12(7-10)8(2)9(3)13/h8,10H,4-7H2,1-3H3/t8-,10+/m0/s1/i4D2
InChIKeyJABLFRNMDDYKJG-UKTKCYQOSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
propan-2-yl (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 171485829
(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 166174604
ethyl 2-fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511114
2-bromo-N-methyl-N-[2-[5-oxo-1-[(3S)-2-oxopentan-3-yl]pyrrolidin-3-yl]ethyl]acetamide
CID 59400519
2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
CID 22387164
S-[[1-[(2R)-4-hydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666028
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(2S)-2-(1-ethylcycloprop-2-en-1-yl)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]acetic acid
CID 134580634
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one (CID 118697761) is (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one is [2H]C([2H])(C)C[C@@H]1CC(=O)N([C@@H](C)C(C)=O)C1.
What is the InChIKey of (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one?
The InChIKey is JABLFRNMDDYKJG-UKTKCYQOSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-10-6-11(14)12(7-10)8(2)9(3)13/h8,10H,4-7H2,1-3H3/t8-,10+/m0/s1/i4D2.
What are the key properties of (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one?
(4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-dideuteriopropyl)-1-[(2S)-3-oxobutan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 118697761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).