6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
Basic information
- CAS
243967-44-4- Standard SMILES
O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O- InChIKey
AHWMERGBWWROMM-UHFFFAOYSA-N- Molecular formula
- C11H8N2O5
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.04332136
Names & identifiers
- Preferred name
- 6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
- IUPAC
- 6-(oxaloamino)-1H-indole-5-carboxylic acid
Names & synonyms
6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID6-(carboxyformamido)-1H-indole-5-carboxylic acidRefChem:539823243967-44-4WM8KMK01TAUNII-WM8KMK01TACHEMBL3424786-(Carboxycarbonylamino)-1H-indole-5-carboxylic acid1H-Indole-5-carboxylic acid, 6-((carboxycarbonyl)amino)-6-(oxaloamino)-1H-indole-5-carboxylic acidOAISCHEMBL4318827
Show more names
DTXSID503321661c83BDBM50118796DB04001PD006570NS00068896Q270948586-[(carboxycarbonyl)amino]-1H-indole-5-carboxylic acid
Database identifiers
- CAS
243967-44-4- PubChem CID
- 444763
- DTXSID
DTXSID50332166- ChEMBL
CHEMBL342478- UNII
- WM8KMK01TA
- Nikkaji
- J2.338.244J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Related reactions
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Compound notes
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