5-[(3-Acetylphenyl)amino]-5-oxopentanoic acid
Basic information
- CAS
194784-50-4- Standard SMILES
CC(=O)c1cccc(NC(=O)CCCC(=O)O)c1- InChIKey
CINJNHPIIVNRPA-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
Names & identifiers
- Preferred name
- 5-[(3-Acetylphenyl)amino]-5-oxopentanoic acid
- IUPAC
- 5-(3-acetylanilino)-5-oxopentanoic acid
- English name
- 5-[(3-Acetylphenyl)amino]-5-oxopentanoic acid
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
5-[(3-acetylphenyl)amino]-5-oxopentanoic acid194784-50-44-[(3-acetylphenyl)carbamoyl]butanoic Acid5-(3-acetylanilino)-5-oxopentanoic acid5-((3-Acetylphenyl)amino)-5-oxopentanoic acidMFCD00157633SCHEMBL29951884ALBB-003011BBL014316STK413478AKOS002675925VS-04265
Show more names
N-(3-ACETYLPHENYL)GLUTARAMIC ACIDPentanoic acid, 5-[(3-acetylphenyl)amino]-5-oxo-
5-(3-acetylanilino)-5-oxo-pentanoic acidCS-0320744ST504466644-[N-(3-acetylphenyl)carbamoyl]butanoic acid5-((3-Acetylphenyl)amino)-5-oxopentanoicacidH22500
Database identifiers
- CAS
194784-50-4
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 538.2 · 538.2±35.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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