Propanoic acid, 3-amino-3-phosphono-, 1-methyl ester
Basic information
- CAS
61341-15-9- Standard SMILES
COC(=O)CC(N)P(=O)(O)O- InChIKey
CAVPCAWZXLCJGO-UHFFFAOYSA-N- Molecular formula
- C4H10NO5P
- Average molar mass
- 183.1 g/mol
- Monoisotopic mass
- 183.02965942
Names & identifiers
- Preferred name
- Propanoic acid, 3-amino-3-phosphono-, 1-methyl ester
- IUPAC
- (1-amino-3-methoxy-3-oxopropyl)phosphonic acid
Names & synonyms
61341-15-9Propanoic acid, 3-amino-3-phosphono-, 1-methyl esterRefChem:10968863-Amino-3-phosphonopropanoic acid methyl ester(1-amino-3-methoxy-3-oxopropyl)phosphonic acid1-Methyl 3-amino-3-phosphonopropanoateBRN 2257635DTXSID20976859
Database identifiers
- CAS
61341-15-9- PubChem CID
- 3045971
- DTXSID
DTXSID20976859- Nikkaji
- J1.304.063J
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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