4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid

C9H8N2O3 — CID 84663755

IUPAC4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid
SMILESNc1cc(C(=O)O)cc2c1CC(=O)N2
InChIInChI=1S/C9H8N2O3/c10-6-1-4(9(13)14)2-7-5(6)3-8(12)11-7/h1-2H,3,10H2,(H,11,12)(H,13,14)
InChIKeyWJBNKASWTUOCOV-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.46
Rot. Bonds1

About 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid

4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid (PubChem CID 84663755) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid
PubChem CID84663755
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid
SMILESNc1cc(C(=O)O)cc2c1CC(=O)N2
InChIInChI=1S/C9H8N2O3/c10-6-1-4(9(13)14)2-7-5(6)3-8(12)11-7/h1-2H,3,10H2,(H,11,12)(H,13,14)
InChIKeyWJBNKASWTUOCOV-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzoic acid;1,3-diazinane-2,4,6-trione
CID 139205213
8-bromo-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid
CID 68987662
4-amino-2,3-dihydro-1-benzothiophene-6-carboxylic acid
CID 84666230
2-oxo-1,3-dihydroindole-6-carbonyl chloride
CID 141361971
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
5-(2-oxo-1,3-dihydroindol-4-yl)pyridine-3-carboxylic acid
CID 22135397
6-chloro-4-fluoro-1,3-dihydroindol-2-one
CID 66634278
3,9-dioxo-5,7-dithia-2,10-diazabicyclo[9.4.0]pentadeca-1(11),12,14-triene-13-carboxylic acid
CID 135130797
5-amino-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CID 172824544
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid (CID 84663755) is 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid is Nc1cc(C(=O)O)cc2c1CC(=O)N2.
What is the InChIKey of 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid?
The InChIKey is WJBNKASWTUOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-6-1-4(9(13)14)2-7-5(6)3-8(12)11-7/h1-2H,3,10H2,(H,11,12)(H,13,14).
What are the key properties of 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid?
4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-1,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 84663755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).