((3-Aminopropanoyl)amino)methanesulfonic acid
Basic information
- CAS
7478-90-2- Standard SMILES
NCCC(=O)NCS(=O)(=O)O- InChIKey
BUAPAMDEVSJIGE-UHFFFAOYSA-N- Molecular formula
- C4H10N2O4S
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.03612798
Names & identifiers
- Preferred name
- ((3-Aminopropanoyl)amino)methanesulfonic acid
- IUPAC
- (3-aminopropanoylamino)methanesulfonic acid
Names & synonyms
7478-90-2((3-Aminopropanoyl)amino)methanesulfonic acidNSC 401553NSC401553(3-aminopropanoylamino)methanesulfonic acid(3-AMINOPROPANAMIDO)METHANESULFONIC ACIDDTXSID10225762(beta-Alanylamino)methanesulfonic acidNSC-401553
Database identifiers
- CAS
7478-90-2- PubChem CID
- 344576
- DTXSID
DTXSID10225762
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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