2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid

C10H7NO4 — CID 117293086

IUPAC2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
SMILESO=C1Cc2cccc(C(=O)C(=O)O)c2N1
InChIInChI=1S/C10H7NO4/c12-7-4-5-2-1-3-6(8(5)11-7)9(13)10(14)15/h1-3H,4H2,(H,11,12)(H,14,15)
InChIKeyHLSDXUZJAGAWIE-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.45
Rot. Bonds2

About 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid

2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid (PubChem CID 117293086) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
PubChem CID117293086
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid
SMILESO=C1Cc2cccc(C(=O)C(=O)O)c2N1
InChIInChI=1S/C10H7NO4/c12-7-4-5-2-1-3-6(8(5)11-7)9(13)10(14)15/h1-3H,4H2,(H,11,12)(H,14,15)
InChIKeyHLSDXUZJAGAWIE-UHFFFAOYSA-N
XLogP0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-7-yl)butanoic acid
CID 171877907
acetic acid;1,3-dihydroindol-2-one
CID 158067424
7-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282362
3-cyclopropyl-3-(2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 117364721
2-(2-oxalophenyl)-2-oxoacetic acid
CID 22610354
7-(2-aminoethyl)-1,3-dihydroindol-2-one
CID 82410863
5-iodo-2-oxo-1,3-dihydroindole-7-carboxylic acid
CID 121231831
N-methyl-1,3-dioxo-4H-isoquinoline-8-carboxamide
CID 155579260
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
8-(2-chloropropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 57115682
acetic acid;4H-isoquinoline-1,3-dione
CID 67841209
1,3-dihydroindol-2-one;ethane
CID 54350510

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The IUPAC name of 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid (CID 117293086) is 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid.
What is the SMILES notation for 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The canonical SMILES for 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid is O=C1Cc2cccc(C(=O)C(=O)O)c2N1.
What is the InChIKey of 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid?
The InChIKey is HLSDXUZJAGAWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7-4-5-2-1-3-6(8(5)11-7)9(13)10(14)15/h1-3H,4H2,(H,11,12)(H,14,15).
What are the key properties of 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid?
2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid has a molecular weight of 205.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxo-1,3-dihydroindol-7-yl)acetic acid is sourced from PubChem (CID 117293086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).