beta-Alanine, 3-phosphono-
Basic information
- CAS
5652-40-4- Standard SMILES
NC(CC(=O)O)P(=O)(O)O- InChIKey
PYNYIIAOBBMFDZ-UHFFFAOYSA-N- Molecular formula
- C3H8NO5P
- Average molar mass
- 169.07 g/mol
- Monoisotopic mass
- 169.01400899
Names & identifiers
- Preferred name
- beta-Alanine, 3-phosphono-
- IUPAC
- 3-amino-3-phosphonopropanoic acid
Names & synonyms
.beta.-Alanine, 3-phosphono-5652-40-4DTXSID40317487beta-Alanine, 3-phosphono-RefChem:328895DTXCID702686103-amino-3-phosphonopropanoic acid3-amino-3-phosphonopropionic acidNSC316460Propanoic acid, 3-amino-3-phosphono-CHEMBL447740SCHEMBL3482857
Show more names
NSC-316460
Database identifiers
- CAS
5652-40-4- PubChem CID
- 330166
- DTXSID
DTXSID40317487- ChEMBL
CHEMBL447740- Nikkaji
- J845.912F
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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