2-(1-Cyano-4-hydroxyisoquinoline-3-carboxamido)acetic acid

HCID 24779986
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Basic information

Standard SMILES
N#Cc1nc(C(=O)NCC(=O)O)c(O)c2ccccc12
InChIKey
BJAJGXRKYCBVJL-UHFFFAOYSA-N
Molecular formula
C13H9N3O4
Average molar mass
271.23 g/mol

Names & identifiers

Preferred name
2-(1-Cyano-4-hydroxyisoquinoline-3-carboxamido)acetic acid
IUPAC
2-[(1-cyano-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid

Names & synonyms

945739-63-92-(1-Cyano-4-hydroxyisoquinoline-3-carboxamido)acetic acid2-[(1-cyano-4-hydroxyisoquinolin-3-yl)formamido]acetic acidSCHEMBL1656947BJAJGXRKYCBVJL-UHFFFAOYSA-N[(1-Cyano-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid

Database identifiers

PubChem CID
24779986

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
123 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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