2-Amino-5-oxo-5-pentoxy-pentanoic acid
Basic information
- CAS
52684-39-6- Standard SMILES
CCCCCOC(=O)CCC(N)C(=O)O- InChIKey
DIFAUCZLOHUKHQ-QMMMGPOBSA-N- Molecular formula
- C10H19NO4
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.13140809
Names & identifiers
- Preferred name
- 2-Amino-5-oxo-5-pentoxy-pentanoic acid
- IUPAC
- 2-amino-5-oxo-5-pentoxypentanoic acid
- English name
- 2-amino-5-oxo-5-pentoxy-pentanoic acid
- Molecular formula
- C10H19NO4
- Molecular weight
- 217.26
Names & synonyms
52684-39-6NSC168882-AMINO-5-OXO-5-PENTOXY-PENTANOIC ACIDSCHEMBL17537069NSC-16888DB-260733L-Glutamic acid, 5-pentyl ester
Database identifiers
- CAS
52684-39-6- PubChem CID
- 226464
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 363.3 · 363.3±37.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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