Basic information
- Standard SMILES
CC(CC(=O)N1CCOCC1)(C(=O)O)S(=O)(=O)CC1CC1- InChIKey
KQQQOWIVMORVHY-UHFFFAOYSA-N- Molecular formula
- C13H21NO6S
- Average molar mass
- 319.38 g/mol
- Monoisotopic mass
- 319.10895856
Names & identifiers
- Preferred name
- 2-(Cyclopropylmethylsulfonyl)-2-methyl-4-morpholin-4-yl-4-oxobutanoic acid
- IUPAC
- 2-(cyclopropylmethylsulfonyl)-2-methyl-4-morpholin-4-yl-4-oxobutanoic acid
Names & synonyms
SCHEMBL5955741
Database identifiers
- PubChem CID
- 69619346
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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