2-Amino-3-quinolin-4-YL-propionic acid
Basic information
- CAS
1991-98-6- Standard SMILES
NC(Cc1ccnc2ccccc12)C(=O)O- InChIKey
ZUYBRQWHZZVAHM-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 2-Amino-3-quinolin-4-YL-propionic acid
- IUPAC
- 2-amino-3-quinolin-4-ylpropanoic acid
- English name
- 2-Amino-3-quinolin-4-yl-propionic acid
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
1991-98-62-Amino-3-(quinolin-4-yl)propanoic acid2-AMINO-3-QUINOLIN-4-YL-PROPIONIC ACID2-amino-3-quinolin-4-ylpropanoic acidMFCD052280293-(Quinolin-4-yl)alanineSCHEMBL503050DTXSID00409559a-Amino-4-quinolinepropanoic acidAKOS0131809412-amino-3-(4-quinolyl)propanoic acidSB35134
Show more names
3-(4-Quinolyl)-DL-Ala-OH4-Quinolinepropanoic acid, α-amino-
2-Amino-3-(quinolin-4-yl)propanoicacidDB-065999CS-0341304EN300-1829439
Database identifiers
- CAS
1991-98-6- PubChem CID
- 5201723
- DTXSID
DTXSID00409559
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 430.9 · 430.9±35.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
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