2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid

C10H15NO4 — CID 61036813

IUPAC2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPBYXLEDAPYOCAV-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.63
Rot. Bonds4

About 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (PubChem CID 61036813) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
PubChem CID61036813
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPBYXLEDAPYOCAV-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.63
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

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
2-methyl-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanoic acid
CID 65284889
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
2-[3,5-bis(1-carboxybutyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]pentanoic acid
CID 139846064
3-methyl-1-(1-methylsulfonyl-3-oxobutan-2-yl)pyrrolidine-2,5-dione
CID 167052357
2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 4179650
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
CID 61071302
1-(1-amino-3-methylbutan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 65191994
N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118729030
2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid
CID 67701766

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (CID 61036813) is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1C(=O)CC(C)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is PBYXLEDAPYOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 61036813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).