3-Hydroxy-2-[4-(3-methyl-butoxy)-benzoylamino]-propionic acid
Basic information
- CAS
1008069-91-7- Standard SMILES
CC(C)CCOc1ccc(C(=O)NC(CO)C(=O)O)cc1- InChIKey
ZWTAAMADYGOLCH-UHFFFAOYSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- 3-Hydroxy-2-[4-(3-methyl-butoxy)-benzoylamino]-propionic acid
- IUPAC
- 3-hydroxy-2-[[4-(3-methylbutoxy)benzoyl]amino]propanoic acid
- English name
- 3-HYDROXY-2-[4-(3-METHYL-BUTOXY)-BENZOYLAMINO]-PROPIONIC ACID
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
3-Hydroxy-2-[4-(3-methyl-butoxy)-benzoylamino]-propionic acid1008069-91-7(4-(Isopentyloxy)benzoyl)serine3-hydroxy-2-[[4-(3-methylbutoxy)benzoyl]amino]propanoic acid3-Hydroxy-2-[4-(3-Methyl-Butoxy)-Benzoylamino]-PropionicacidAKOS000300783AKOS024303309CS-0339959ST50016485SR-01000319232SR-01000319232-13-hydroxy-2-{[4-(3-methylbutoxy)phenyl]carbonylamino}propanoic acid
Show more names
Serine, N-[4-(3-methylbutoxy)benzoyl]-
Database identifiers
- CAS
1008069-91-7- PubChem CID
- 3146270
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 533.6 · 533.6±50.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.10(Predicted)
- 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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Compound notes
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