4-{[2-(Diethylamino)ethyl]amino}-4-oxobutanoic acid
Basic information
- CAS
72038-39-2- Standard SMILES
CCN(CC)CCNC(=O)CCC(=O)O- InChIKey
WQSADEBZBOMXSQ-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.1473925
Names & identifiers
- Preferred name
- 4-{[2-(Diethylamino)ethyl]amino}-4-oxobutanoic acid
- IUPAC
- 4-[2-(diethylamino)ethylamino]-4-oxobutanoic acid
Names & synonyms
72038-39-24-{[2-(diethylamino)ethyl]amino}-4-oxobutanoic acidSTK139052NSC360409SCHEMBL93812DTXSID30320501AKOS005404874NSC-360409NCGC00335945-01DA-21701AB01328019-02
Database identifiers
- CAS
72038-39-2- PubChem CID
- 338375
- DTXSID
DTXSID30320501
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
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Compound notes
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