4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid

C14H23NO4 — CID 43437413

IUPAC4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-8(2)6-10(12(17)18)15-11(16)7-14(5,9(3)4)13(15)19/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyVDJGLNOKXPENRZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.91
Rot. Bonds5

About 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid

4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 43437413) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID43437413
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid
SMILESCC(C)CC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H23NO4/c1-8(2)6-10(12(17)18)15-11(16)7-14(5,9(3)4)13(15)19/h8-10H,6-7H2,1-5H3,(H,17,18)
InChIKeyVDJGLNOKXPENRZ-UHFFFAOYSA-N
XLogP1.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid
CID 66167741
1-(1-amino-3-methylbutan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65191993
(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid
CID 24744938
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
2-cyclopropyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 64670096
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-5-methoxypentanoic acid
CID 81077867
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid (CID 43437413) is 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid is CC(C)CC(C(=O)O)N1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is VDJGLNOKXPENRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8(2)6-10(12(17)18)15-11(16)7-14(5,9(3)4)13(15)19/h8-10H,6-7H2,1-5H3,(H,17,18).
What are the key properties of 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid?
4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 43437413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).