Basic information
- CAS
3125-84-6- Standard SMILES
CC(=N)C(=O)O- InChIKey
DUAWRLXHCUAWMK-UHFFFAOYSA-N- Molecular formula
- C3H5NO2
- Average molar mass
- 87.08 g/mol
- Monoisotopic mass
- 87.0320284
Overview
2-iminiopropionate is a zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of 2-iminopropionic acid. It is an a 2-iminiocarboxylate and a zwitterion. It is a conjugate acid of a 2-iminopropanoate. It is a tautomer of a 2-aminoacrylic acid, a 2-ammonioprop-2-enoate and a 2-iminopropionic acid.
Names & identifiers
- Preferred name
- 2-Iminiopropanoate
- IUPAC
- 2-iminopropanoic acid
Names & synonyms
2-IMINIOPROPANOATE2-iminopropanoic acid3125-84-62-iminiopropionateimino-propionic acid2-iminopropionic acidSCHEMBL4315466CHEBI:44400CHEBI:76608DTXSID10415348AKOS006380185DB04212
Show more names
PD006876NS00068424C20904Q27095040
Database identifiers
- CAS
3125-84-6- PubChem CID
- 5288980
- DTXSID
DTXSID10415348- ChEBI
CHEBI:44400- Nikkaji
- J1.724.656I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 86.8
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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