4-Acetylamino-4-(2-carboxy-ethyl)-heptanedioic acid
Basic information
- Standard SMILES
CC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O- InChIKey
ACTBPFHIGMFYAH-UHFFFAOYSA-N- Molecular formula
- C12H19NO7
- Average molar mass
- 289.28 g/mol
Names & identifiers
- Preferred name
- 4-Acetylamino-4-(2-carboxy-ethyl)-heptanedioic acid
- IUPAC
- 4-acetamido-4-(2-carboxyethyl)heptanedioic acid
Names & synonyms
SCHEMBL4542331ACTBPFHIGMFYAH-UHFFFAOYSA-N4-acetamido-4-(2-carboxyethyl)heptanedioic acid4-Acetylamino-4-(2-carboxy-ethyl)-heptanedioic acid
Database identifiers
- PubChem CID
- 53473520
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
1 records
Compound notes
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