(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide

C11H20N2O2 — CID 11735998

IUPAC(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CCC(C)(CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-8(9(12)14)13-7-6-11(3,5-2)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)/t8-,11?/m0/s1
InChIKeyXURVYKNWASFZLM-YMNIQAILSA-N
MW212.29 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide

(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide (PubChem CID 11735998) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide
PubChem CID11735998
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CCC(C)(CC)C1=O
InChIInChI=1S/C11H20N2O2/c1-4-8(9(12)14)13-7-6-11(3,5-2)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)/t8-,11?/m0/s1
InChIKeyXURVYKNWASFZLM-YMNIQAILSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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L-leucyl-L-prolinamide
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L-valyl-L-prolinamide
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Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
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(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
rac-Brivaracetam
CID 9834332
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CID 9813318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide (CID 11735998) is (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(N)=O)N1CCC(C)(CC)C1=O.
What is the InChIKey of (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is XURVYKNWASFZLM-YMNIQAILSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-8(9(12)14)13-7-6-11(3,5-2)10(13)15/h8H,4-7H2,1-3H3,(H2,12,14)/t8-,11?/m0/s1.
What are the key properties of (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide?
(2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethyl-3-methyl-2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 11735998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).