4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid

C16H18N2O4 — CID 134076449

IUPAC4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(C2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C16H18N2O4/c19-13(5-6-14(20)21)18-8-7-10(9-18)15-11-3-1-2-4-12(11)17-16(15)22/h1-4,10,15H,5-9H2,(H,17,22)(H,20,21)
InChIKeyIYJVKJZHEKLSIW-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.44
Rot. Bonds4

About 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid

4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid (PubChem CID 134076449) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
PubChem CID134076449
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(C2C(=O)Nc3ccccc32)C1
InChIInChI=1S/C16H18N2O4/c19-13(5-6-14(20)21)18-8-7-10(9-18)15-11-3-1-2-4-12(11)17-16(15)22/h1-4,10,15H,5-9H2,(H,17,22)(H,20,21)
InChIKeyIYJVKJZHEKLSIW-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 95968551
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
3-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154773537
ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969908
1,3-dimethyl-7-[3-oxo-3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
CID 166183173
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 120988636
3-[1-[2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]acetyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833821
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
3-[1-[4-(4-methyl-2H-benzo[cd]indol-1-yl)butanoyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 178012552
3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
3-[1-(1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 136530546

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid (CID 134076449) is 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCC(C2C(=O)Nc3ccccc32)C1.
What is the InChIKey of 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid?
The InChIKey is IYJVKJZHEKLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-13(5-6-14(20)21)18-8-7-10(9-18)15-11-3-1-2-4-12(11)17-16(15)22/h1-4,10,15H,5-9H2,(H,17,22)(H,20,21).
What are the key properties of 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid?
4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 134076449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).