(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide

C11H20N2O2 — CID 166174604

IUPAC(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@H]1CC(=O)N([C@@H](CC)C(N)=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1/i1D3,3D2,5D2
InChIKeyMSYKRHVOOPPJKU-YTSVDINQSA-N
MW219.34 g/mol
LogP0.90
Rot. Bonds6

About (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide

(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 166174604) has the molecular formula C11H20N2O2 and a molecular weight of 219.34 g/mol. Its IUPAC name is (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID166174604
Molecular FormulaC11H20N2O2
Molecular Weight219.34 g/mol
Exact Mass219.20
IUPAC Name(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@H]1CC(=O)N([C@@H](CC)C(N)=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1/i1D3,3D2,5D2
InChIKeyMSYKRHVOOPPJKU-YTSVDINQSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
(2R)-2-[(4R)-4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 135828034
[1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl thiocyanate
CID 141264581
(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400524
(2S)-2-[(4S)-2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]butanamide
CID 11299382
tert-butyl 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanoate
CID 22387022
2-[4-[2-[(2-bromoacetyl)-methylamino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 75167803
N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-methylbutanediamide;cyclooctadecane
CID 167542037
N'-[[1-[(2R)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidin-3-yl]methyl]-N-(cyclooctadecylmethyl)butanediamide
CID 166955858
(2S)-2-[4-(iodomethyl)-2-oxopyrrolidin-1-yl]butanamide;(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide
CID 159210796
2-(4-hexyl-2-oxopyrrolidin-1-yl)octanamide
CID 22387164
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide (CID 166174604) is (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@H]1CC(=O)N([C@@H](CC)C(N)=O)C1.
What is the InChIKey of (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is MSYKRHVOOPPJKU-YTSVDINQSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1/i1D3,3D2,5D2.
What are the key properties of (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide?
(2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 219.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-4-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 166174604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).