2-Acetamido-3-(thiophen-3-YL)propanoic acid
Basic information
- CAS
67206-08-0- Standard SMILES
CC(=O)NC(Cc1ccsc1)C(=O)O- InChIKey
BAUPSKSGDPNCTJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO3S
- Average molar mass
- 213.26 g/mol
- Monoisotopic mass
- 213.04596439
Names & identifiers
- Preferred name
- 2-Acetamido-3-(thiophen-3-YL)propanoic acid
- IUPAC
- 2-acetamido-3-thiophen-3-ylpropanoic acid
- English name
- 3-Thiophenepropanoic acid, α-(acetylamino)-
- Molecular formula
- C9H11NO3S
- Molecular weight
- 213.25
Names & synonyms
67206-08-02-ACETAMIDO-3-(THIOPHEN-3-YL)PROPANOIC ACIDalpha-(Acetylamino)-3-thiophenepropanoic acidNSC2705542-acetamido-3-thiophen-3-ylpropanoic acidSCHEMBL6194235CHEMBL1997565N-Acetyl-3-thiophen-3-ylalanineDTXSID101272120AKOS013464498NSC-270554NCI60_002208
Show more names
α-(Acetylamino)-3-thiophenepropanoic acid3-Thiophenepropanoic acid, α-(acetylamino)-
|A-(Acetylamino)-3-thiophenepropanoic acid2-acetamido-3-(thiophen-3-yl)propanoicacidI+/--(Acetylamino)-3-thiophenepropanoic acidE86050EN300-2150759Z1201004077
Database identifiers
- CAS
67206-08-0- PubChem CID
- 321144
- DTXSID
DTXSID101272120- ChEMBL
CHEMBL1997565
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 472.5 · 472.5±40.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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