Basic information
- CAS
1468659-05-3- Standard SMILES
O=C(O)CCc1cnc(N2CCCC2)s1- InChIKey
IYPJHASVDUVWBK-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.07759887
Names & identifiers
- Preferred name
- 3-[2-(Pyrrolidin-1-yl)-1,3-thiazol-5-yl]propanoic acid
- IUPAC
- 3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propanoic acid
Names & synonyms
3-[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]propanoic acid1468659-05-3
Database identifiers
- CAS
1468659-05-3- PubChem CID
- 82425256
- EC Number
- 189-037-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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