2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide

C13H23N3O3 — CID 19705569

IUPAC2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCNC(=O)CN1CCC(CC(N)=O)(CC(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)6-13(7-10(14)17)4-5-16(12(13)19)8-11(18)15-3/h9H,4-8H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyREWCUEMSRHWICX-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.13
Rot. Bonds6

About 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide

2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 19705569) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID19705569
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide
SMILESCNC(=O)CN1CCC(CC(N)=O)(CC(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-9(2)6-13(7-10(14)17)4-5-16(12(13)19)8-11(18)15-3/h9H,4-8H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyREWCUEMSRHWICX-UHFFFAOYSA-N
XLogP-0.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Brivaracetam
CID 9837243
rac-Brivaracetam
CID 9834332
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
(2S)-2-(4-methyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 9813318
Brivaracetam, (I+-S,4S)-
CID 9855859
(2S)-2-[4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942834
N-hydroxy-6-[[2-[(3R)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]acetyl]amino]hexanamide
CID 44330590
(2S)-2-(2-oxo-4,4-dipropylpyrrolidin-1-yl)butanamide
CID 11207545
H-Leu-Pro-Lys-NH2
CID 134528676
2-(2-Oxo-4-propylpyrrolidin-1-yl)pentanamide
CID 9813319
2-[4-(2-Methylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9834483
2-(2-Oxo-4-propylpyrrolidin-1-yl)propanamide
CID 9920646

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide (CID 19705569) is 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide is CNC(=O)CN1CCC(CC(N)=O)(CC(C)C)C1=O.
What is the InChIKey of 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is REWCUEMSRHWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(2)6-13(7-10(14)17)4-5-16(12(13)19)8-11(18)15-3/h9H,4-8H2,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide?
2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 269.34 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 19705569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).