(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide

C11H20N2O2 — CID 166791554

IUPAC(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CCN([C@@H](CC)C(N)=O)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-8-6-7-13(11(8)15)9(4-2)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)/t8?,9-/m0/s1
InChIKeyLOLBJWHCAAGWNQ-GKAPJAKFSA-N
MW212.29 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide

(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide (PubChem CID 166791554) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide
PubChem CID166791554
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide
SMILESCCCC1CCN([C@@H](CC)C(N)=O)C1=O
InChIInChI=1S/C11H20N2O2/c1-3-5-8-6-7-13(11(8)15)9(4-2)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)/t8?,9-/m0/s1
InChIKeyLOLBJWHCAAGWNQ-GKAPJAKFSA-N
XLogP0.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(1-amino-1-oxobutan-2-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 59400544
2-(3-formyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 90858294
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoate
CID 67272214
(2S)-2-(5-methyl-2-oxopiperidin-1-yl)butanamide
CID 69065391
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
(2S)-2-[(4R)-4-(2,2-dideuteriopropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 122551749
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
(2R)-2-[(3aR,4S,7S,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]butanamide
CID 98532850
2-(2-methyl-5-oxopyrrolidin-1-yl)butanamide
CID 72770362
(3R)-1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxo-3-propylpyrrolidine-2-carboxylic acid
CID 141479330
(2S)-2-(2-oxo-5-pentylpyrrolidin-1-yl)butanamide
CID 11287921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide (CID 166791554) is (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide is CCCC1CCN([C@@H](CC)C(N)=O)C1=O.
What is the InChIKey of (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide?
The InChIKey is LOLBJWHCAAGWNQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-8-6-7-13(11(8)15)9(4-2)10(12)14/h8-9H,3-7H2,1-2H3,(H2,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide?
(2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxo-3-propylpyrrolidin-1-yl)butanamide is sourced from PubChem (CID 166791554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).