N-succinoylanthranilic acid
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Basic information
- CAS
5694-37-1- Standard SMILES
O=C(O)CCC(=O)Nc1ccccc1C(=O)O- InChIKey
OGPDRYVIHAFSNL-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Overview
2-[(3-carboxy-1-oxopropyl)amino]benzoic acid is an amidobenzoic acid.
Names & identifiers
- Preferred name
- N-succinoylanthranilic acid
- IUPAC
- 2-(3-carboxypropanoylamino)benzoic acid
- English name
- N-(4-CARBOXYPHENYL)SUCCINAMIC ACID
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
5694-37-1N-succinoylanthranilic acidRefChem:3649082-(3-carboxypropanoylamino)benzoic acid2-[(3-Carboxypropanoyl)amino]benzoic acid2-(3-carboxypropanamido)benzoic acidNSC146833CBKinase1_000072CBKinase1_0124722-[(3-carboxy-1-oxopropyl)amino]benzoic acidCambridge id 5222415Oprea1_131656
Show more names
2'-Carboxysuccinanilic acid2'-CARBOXYSUCCINANILIC ACID4-(3-carbamoylpropanoyl)benzoic acid2-[(4-hydroxy-4-oxobutanoyl)amino]benzoic acid2-[(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid2-[(4-hydroxy-4-keto-butanoyl)amino]benzoic acid
CBDivE_007436SCHEMBL7824993CHEBI:93956DTXSID70972381OGPDRYVIHAFSNL-UHFFFAOYSA-NSTK246332AKOS001695800NSC-146833
Database identifiers
- CAS
5694-37-1- PubChem CID
- 287263
- DTXSID
DTXSID70972381- ChEBI
CHEBI:93956- Nikkaji
- J40.444F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Boiling point
- 567.175 · 567.175±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.362 · 3.362±0.10(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[(3-carboxy-1-oxopropyl)amino]benzoic acid is an amidobenzoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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