Basic information
- CAS
76157-61-4- Standard SMILES
CCNC(=O)CNC(CC)C(=O)O- InChIKey
AWRBBELLJDULRM-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609238
Overview
antileukemic agent
Names & identifiers
- Preferred name
- N-Ethylcarbaminomethyl-2-aminobutyric acid
- IUPAC
- 2-[[2-(ethylamino)-2-oxoethyl]amino]butanoic acid
Names & synonyms
N-Ethylcarbaminomethyl-2-aminobutyric acid76157-61-4A-827Butanoic acid, 2-((2-(ethylamino)-2-oxoethyl)amino)-RefChem:163339A 827DTXSID40997506AKOS0139951532-{[2-(Ethylimino)-2-hydroxyethyl]amino}butanoic acid
Database identifiers
- CAS
76157-61-4- PubChem CID
- 192064
- DTXSID
DTXSID40997506
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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