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5-Aminomethyl-2-carboxyethylfuran

HCID 18993174
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NCc1ccc(CCC(=O)O)o1
InChIKey
YCMAWBYQJCPUJR-UHFFFAOYSA-N
Molecular formula
C8H11NO3
Average molar mass
169.18 g/mol

Names & identifiers

Preferred name
5-Aminomethyl-2-carboxyethylfuran
IUPAC
3-[5-(aminomethyl)furan-2-yl]propanoic acid

Names & synonyms

SCHEMBL74962315-aminomethyl-2-carboxyethylfuranYCMAWBYQJCPUJR-UHFFFAOYSA-N

Database identifiers

PubChem CID
18993174

Properties

Computed structural properties

XLogP
-2.6
Topological polar surface area
76.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
160

Related reactions

3 records
New reaction record
HRID 190353 reaction equation
HRID 190353As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 375636 reaction equation
HRID 375636As productuspto-grants-1996_01
HRID 375637 reaction equation
HRID 375637As reactantuspto-grants-1996_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes