4-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid
Basic information
- CAS
337497-09-3- Standard SMILES
O=C(O)CCC(=O)NCC1COc2ccccc2O1- InChIKey
HCGXNPQDNIEHBJ-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 4-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid
- IUPAC
- 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxobutanoic acid
- English name
- CHEMBRDG-BB 6585364
- Molecular formula
- C13H15NO5
- Molecular weight
- 265.26
Names & synonyms
337497-09-34-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid4-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)-4-oxobutanoic acidMFCD011006934-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxobutanoic acidHMS1525B14Maybridge4_001444Oprea1_004578Oprea1_316364DTXSID20384652STL332508AKOS000546908
Show more names
CHEMBRDG-BB 6585364OTAVA-BB 7020688368Butanoic acid, 4-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino]-4-oxo-4-[(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)amino]-4-oxobutanoic acid(SALTDATA: FREE)
AKOS017274683CCG-253334IDI1_032026BS-37693DB-184308CS-0327727ST50988243AJ-292/12783028
Database identifiers
- CAS
337497-09-3- PubChem CID
- 2815232
- DTXSID
DTXSID20384652
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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