4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide

C11H19N3O3 — CID 65301828

IUPAC4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1C(=O)CC(C)(C)C1=O)C(N)=O
InChIInChI=1S/C11H19N3O3/c1-11(2)6-8(15)14(10(11)17)5-4-7(13-3)9(12)16/h7,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyKYYPKTMTXKFYMJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.77
Rot. Bonds5

About 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide

4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide (PubChem CID 65301828) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide
PubChem CID65301828
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide
SMILESCNC(CCN1C(=O)CC(C)(C)C1=O)C(N)=O
InChIInChI=1S/C11H19N3O3/c1-11(2)6-8(15)14(10(11)17)5-4-7(13-3)9(12)16/h7,13H,4-6H2,1-3H3,(H2,12,16)
InChIKeyKYYPKTMTXKFYMJ-UHFFFAOYSA-N
XLogP-0.77
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Pramiracetam
CID 51712
(2S)-2-amino-3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 61148520
1-Pyrrolidineacetamide, N-(2-((1-methylethyl)amino)-2-oxoethyl)-2-oxo-
CID 3050861
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-methyl-2-oxo-
CID 3050865
1-Pyrrolidineacetamide, N-(2-amino-2-oxoethyl)-alpha-ethyl-2-oxo-
CID 3050866
Pramiracetam Hydrochloride
CID 3050410
2-[4-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-1-piperazinyl]-N-isopropylacetamide
CID 2983546
3-Methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11229181
(2S)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11275430
(2S)-2-(3-methyl-2-oxopyrrolidin-1-yl)butanamide
CID 11344412
1-[(2S)-1-amino-1-oxobutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 44367397
(2S)-2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]butanamide
CID 44367490

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide?
The IUPAC name of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide (CID 65301828) is 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide?
The canonical SMILES for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide is CNC(CCN1C(=O)CC(C)(C)C1=O)C(N)=O.
What is the InChIKey of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide?
The InChIKey is KYYPKTMTXKFYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2)6-8(15)14(10(11)17)5-4-7(13-3)9(12)16/h7,13H,4-6H2,1-3H3,(H2,12,16).
What are the key properties of 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide?
4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide has a molecular weight of 241.29 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanamide is sourced from PubChem (CID 65301828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).