4-(4-Pyrrolidin-1-yl-phenylcarbamoyl)-butyric acid
Basic information
- CAS
510764-92-8- Standard SMILES
O=C(O)CCCC(=O)Nc1ccc(N2CCCC2)cc1- InChIKey
PPICKBJUGOIFSD-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 4-(4-Pyrrolidin-1-yl-phenylcarbamoyl)-butyric acid
- IUPAC
- 5-oxo-5-(4-pyrrolidin-1-ylanilino)pentanoic acid
- English name
- 4-(4-PYRROLIDIN-1-YL-PHENYLCARBAMOYL)-BUTYRIC ACID
- Molecular formula
- C15H20N2O3
- Molecular weight
- 276.33
Names & synonyms
4-(4-Pyrrolidin-1-yl-phenylcarbamoyl)-butyric acid510764-92-85-Oxo-5-((4-(pyrrolidin-1-yl)phenyl)amino)pentanoic acid5-oxo-5-(4-pyrrolidin-1-ylanilino)pentanoic acid4-[N-(4-pyrrolidinylphenyl)carbamoyl]butanoic acidMLS000073317BAS 05596334CHEMBL1570808DTXSID801193496HMS2319J17SBB012188AKOS000300843
Show more names
TIMTEC-BB SBB012188
SMR000013460ST50022321SR-01000318669SR-01000318669-15-Oxo-5-[4-(pyrrolidin-1-yl)anilino]pentanoic acid5-Oxo-5-((4-(pyrrolidin-1-yl)phenyl)amino)pentanoicacidPentanoic acid, 5-oxo-5-[[4-(1-pyrrolidinyl)phenyl]amino]-
Database identifiers
- CAS
510764-92-8- PubChem CID
- 649459
- DTXSID
DTXSID801193496- ChEMBL
CHEMBL1570808
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- 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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…