Basic information
- CAS
29779-53-1- Standard SMILES
O=C(O)CCNC(=O)c1c(I)c(I)c(C(=O)N2CCOCC2)c(I)c1I- InChIKey
ALWNUKZAJHWDBE-UHFFFAOYSA-N- Molecular formula
- C15H14I4N2O5
- Average molar mass
- 809.9 g/mol
- Monoisotopic mass
- 809.70816355
Names & identifiers
- Preferred name
- beta-Alanine, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-
- IUPAC
- 3-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]propanoic acid
Names & synonyms
BRN 1180694beta-Alanine, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-29779-53-1DTXSID80183926N-(4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)beta-alanine4-(4-(beta-Carboxyaethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin [German]4-(4-(beta-Carboxyaethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholinRefChem:328924DTXCID20106417N-[2,3,5,6-Tetraiodo-4-(morpholine-4-carbonyl)benzoyl]-beta-alanine
Database identifiers
- CAS
29779-53-1- PubChem CID
- 207367
- DTXSID
DTXSID80183926
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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