2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid

C10H15NO4 — CID 62933969

IUPAC2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
SMILESCC1CC(=O)N(CC(C)C(=O)O)C(=O)C1
InChIInChI=1S/C10H15NO4/c1-6-3-8(12)11(9(13)4-6)5-7(2)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWMCUAVWCWJHKL-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.49
Rot. Bonds3

About 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid

2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid (PubChem CID 62933969) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
PubChem CID62933969
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
SMILESCC1CC(=O)N(CC(C)C(=O)O)C(=O)C1
InChIInChI=1S/C10H15NO4/c1-6-3-8(12)11(9(13)4-6)5-7(2)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyOWMCUAVWCWJHKL-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.49
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-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 106288772
1-(2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 79506655
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
CID 79507028
(2R)-2-[(2S)-1-(carboxymethyl)-4-oxoazetidin-2-yl]propanoic acid
CID 10512265
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
CID 79507124
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
2-[2-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]phenyl]acetic acid
CID 81318118
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
1-[2-(ethylamino)-2-phenylethyl]-4-methylpiperidine-2,6-dione
CID 79507326
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518
methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
CID 79506636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid (CID 62933969) is 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid is CC1CC(=O)N(CC(C)C(=O)O)C(=O)C1.
What is the InChIKey of 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid?
The InChIKey is OWMCUAVWCWJHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-3-8(12)11(9(13)4-6)5-7(2)10(14)15/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid?
2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 62933969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).