2-Amino-2-ethylheptanoic acid
Basic information
- CAS
6341-49-7- Standard SMILES
CCCCCC(N)(CC)C(=O)O- InChIKey
WSQOQDFAMHVJSJ-UHFFFAOYSA-N- Molecular formula
- C9H19NO2
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.14157885
Names & identifiers
- Preferred name
- 2-Amino-2-ethylheptanoic acid
- IUPAC
- 2-amino-2-ethylheptanoic acid
Names & synonyms
2-amino-2-ethylheptanoic acid6341-49-7DTXSID20286506RefChem:255279DTXCID80237655NSC46237SCHEMBL88429632-ethyl-2-amino-heptanoic acidNSC-46237
Database identifiers
- CAS
6341-49-7- PubChem CID
- 240185
- DTXSID
DTXSID20286506- Nikkaji
- J347.990K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…