Basic information
- CAS
35402-55-2- Standard SMILES
Nc1ccccc1C(=O)CCC(=O)O- InChIKey
BIASMBPERGWEBX-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 2-Amino-gamma-oxobenzenebutanoic acid
- IUPAC
- 4-(2-aminophenyl)-4-oxobutanoic acid
- English name
- 4-(2-Aminophenyl)-4-oxobutanoicacid
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID35402-55-22-Amino-gamma-oxobenzenebutanoic acidCHEMBL-12338984-(2-Aminophenyl)-4-oxidanylidene-butanoic acidBenzenebutanoic acid, 2-amino-gamma-oxo-2-AMINO-.GAMMA.-OXOBENZENEBUTANOIC ACIDBENZENEBUTANOIC ACID, 2-AMINO-.GAMMA.-OXO-RefChem:85342YU3DZ8UH2SUNII-YU3DZ8UH2SKY1
Show more names
4-(2-Aminophenyl)-4-oxobutanoicacidBenzenebutanoic acid, 2-amino-γ-oxo-
SCHEMBL7336041CHEMBL12338983-(2-Aminobenzoyl)propionic acidBIASMBPERGWEBX-UHFFFAOYSA-NDTXSID401299789EBC-472872-Amino-I(3)-oxobenzenebutanoic acidDB08060
Database identifiers
- CAS
35402-55-2- PubChem CID
- 6420149
- DTXSID
DTXSID401299789- ChEMBL
CHEMBL1233898- UNII
- YU3DZ8UH2S
- Nikkaji
- J2.313.459D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 171 °C · 171 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 425.4 · 425.4±25.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 4.48 · 4.48±0.17(Predicted)
- FDA UNII
- 3 DZ8UH2S · YU3DZ8UH2S
Chemistry & industry
Applications
Uses2-Amino-Gamma-oxobenzenebutanoic Acid can be useful in the study of tryptophan-derived ultraviolet filter compounds covalently bound to lens proteins.
Suppliers2 total
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
2 records
Compound notes
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