6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid

C14H23NO4 — CID 103499678

IUPAC6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid
SMILESCC(CCCC(C)N1C(=O)C(C)C(C)C1=O)C(=O)O
InChIInChI=1S/C14H23NO4/c1-8(14(18)19)6-5-7-9(2)15-12(16)10(3)11(4)13(15)17/h8-11H,5-7H2,1-4H3,(H,18,19)
InChIKeyDSKQQVCUSMXQGJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.91
Rot. Bonds6

About 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid

6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid (PubChem CID 103499678) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid.

Molecular Properties

Compound Name6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid
PubChem CID103499678
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid
SMILESCC(CCCC(C)N1C(=O)C(C)C(C)C1=O)C(=O)O
InChIInChI=1S/C14H23NO4/c1-8(14(18)19)6-5-7-9(2)15-12(16)10(3)11(4)13(15)17/h8-11H,5-7H2,1-4H3,(H,18,19)
InChIKeyDSKQQVCUSMXQGJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-methyl-6-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)heptanoic acid
CID 114391620
2-methyl-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)heptanoic acid
CID 65284889
6-(3,5-dioxomorpholin-4-yl)-2-methylheptanoic acid
CID 65285337
2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 79180820
6-(3-ethylazetidin-1-yl)-2-methylheptanoic acid
CID 79695121
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
2,9-dimethyldecanoic acid
CID 22251838
2,11-dimethyldodecanoic acid
CID 22251841
6,6-dimethoxy-2-methylhexanoic acid
CID 22887849
6-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylheptanoic acid
CID 65285270

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid?
The IUPAC name of 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid (CID 103499678) is 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid.
What is the SMILES notation for 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid?
The canonical SMILES for 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid is CC(CCCC(C)N1C(=O)C(C)C(C)C1=O)C(=O)O.
What is the InChIKey of 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid?
The InChIKey is DSKQQVCUSMXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8(14(18)19)6-5-7-9(2)15-12(16)10(3)11(4)13(15)17/h8-11H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid?
6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylheptanoic acid is sourced from PubChem (CID 103499678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).