N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C11H20N2O2 — CID 15130907

IUPACN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)10(12-9(3)14)11(15)13-6-4-5-7-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m0/s1
InChIKeyRJBQXTKAKBEZJN-JTQLQIEISA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds3

About N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide

N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130907) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID15130907
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-8(2)10(12-9(3)14)11(15)13-6-4-5-7-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m0/s1
InChIKeyRJBQXTKAKBEZJN-JTQLQIEISA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5284583
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CID 59708
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Etiracetam, (R)-
CID 441341
Melanostatin
CID 92910
Valine-pyrrolidide
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D-Val-L-boroPro
CID 9942554
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 15130907) is N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC(=O)N[C@H](C(=O)N1CCCC1)C(C)C.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is RJBQXTKAKBEZJN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)10(12-9(3)14)11(15)13-6-4-5-7-13/h8,10H,4-7H2,1-3H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).