3-[(2-Hydroxybenzoyl)amino]propanoic acid
Basic information
- CAS
6292-94-0- Standard SMILES
O=C(O)CCNC(=O)c1ccccc1O- InChIKey
QFHIOEUDLWISBO-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 3-[(2-Hydroxybenzoyl)amino]propanoic acid
- IUPAC
- 3-[(2-hydroxybenzoyl)amino]propanoic acid
- English name
- 3-[(2-hydroxyphenyl)formamido]propanoic Acid
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
6292-94-03-[(2-hydroxyphenyl)formamido]propanoic acid3-[(2-hydroxybenzoyl)amino]propanoic acidNSC9983CHEMBL276766SCHEMBL3195875DTXSID40978739N-(2-hydroxybenzoyl)-beta-alanineGAA29294NSC-99833-(2-Hydroxybenzamido)propanoic acidAKOS000130981
Show more names
β-Alanine, N-(2-hydroxybenzoyl)-
3-[(2-hydroxyphenyl)formamido]propanoicacidDB-135348EN300-196656N-[Hydroxy(2-hydroxyphenyl)methylidene]-beta-alanine
Database identifiers
- CAS
6292-94-0- PubChem CID
- 222912
- DTXSID
DTXSID40978739- ChEMBL
CHEMBL276766- Nikkaji
- J944.788A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 493.7 · 493.7±30.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±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
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Related reactions
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Compound notes
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