2-[(1-Glycylpiperidin-3-yl)sulfanyl]-2-methylpropanoic acid
Basic information
- CAS
1785014-31-4- Standard SMILES
CC(C)(SC1CCCN(C(=O)CN)C1)C(=O)O- InChIKey
WRCFSAGDUVJKNK-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3S
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.11946368
Names & identifiers
- Preferred name
- 2-[(1-Glycylpiperidin-3-yl)sulfanyl]-2-methylpropanoic acid
- IUPAC
- 2-[1-(2-aminoacetyl)piperidin-3-yl]sulfanyl-2-methylpropanoic acid
Names & synonyms
DTXSID7011613752-[(1-Glycylpiperidin-3-yl)sulfanyl]-2-methylpropanoic acidPropanoic acid, 2-[[1-(2-aminoacetyl)-3-piperidinyl]thio]-2-methyl-1785014-31-4
Database identifiers
- CAS
1785014-31-4- PubChem CID
- 84755269
- DTXSID
DTXSID701161375
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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