3-(4-Ethoxy-phenyl)-3-[(furan-2-carbonyl)-amino]-propionic acid
Basic information
- CAS
385400-96-4- Standard SMILES
CCOc1ccc(C(CC(=O)O)NC(=O)c2ccco2)cc1- InChIKey
BKGVNTNREZYTSI-UHFFFAOYSA-N- Molecular formula
- C16H17NO5
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.11067264
Names & identifiers
- Preferred name
- 3-(4-Ethoxy-phenyl)-3-[(furan-2-carbonyl)-amino]-propionic acid
- IUPAC
- 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
- English name
- 3-(4-Ethoxy-phenyl)-3-[(furan-2-carbonyl)-amino]-propionic acid
- Molecular formula
- C16H17NO5
- Molecular weight
- 303.31
Names & synonyms
385400-96-43-(4-Ethoxy-phenyl)-3-[(furan-2-carbonyl)-amino]-propionic acid3-(4-Ethoxyphenyl)-3-(furan-2-carboxamido)propanoic acid3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid3-(4-ethoxyphenyl)-3-[(furan-2-carbonyl)amino]propionic acid3-(4-ethoxyphenyl)-3-[(furan-2-yl)formamido]propanoic acid3-(4-ethoxyphenyl)-3-[(furan-2-carbonyl)amino]propanoic acid3-(4-ethoxyphenyl)-3-(2-furylcarbonylamino)propanoic acidMLS000035537Benzenepropanoic acid,4-ethoxy-b-[(2-furanylcarbonyl)amino]-Oprea1_435952Oprea1_538882
Show more names
Benzenepropanoic acid, 4-ethoxy-β-[(2-furanylcarbonyl)amino]-(3S)-3-(4-ethoxyphenyl)-3-[[2-furanyl(oxo)methyl]amino]propanoate
CHEMBL1596674DTXSID40389528HMS2411J17SBB027588AKOS000301363AKOS016183557SB61376SMR000123116
Database identifiers
- CAS
385400-96-4- PubChem CID
- 3124261
- DTXSID
DTXSID40389528- ChEMBL
CHEMBL1596674
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
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
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Related reactions
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Compound notes
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