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6-(Cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)picolinic acid

HCID 71087704
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(N2CCC23COC3)c(OCC2CC2)n1
InChIKey
IFRNLGMTNTYTEB-UHFFFAOYSA-N
Molecular formula
C15H18N2O4
Average molar mass
290.31 g/mol

Names & identifiers

Preferred name
6-(Cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)picolinic acid
IUPAC
6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyridine-2-carboxylic acid

Names & synonyms

SCHEMBL14152392IFRNLGMTNTYTEB-UHFFFAOYSA-N6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)picolinic acid6-cyclopropylmethoxy-5-(6-oxa-1-aza-spiro[3.3]hept-1-yl)-pyridine-2-carboxylic acid

Database identifiers

PubChem CID
71087704

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
71.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
422

Related reactions

11 records
New reaction record
HRID 306805 reaction equation
HRID 306805As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 632290 reaction equation
HRID 632290As reactantuspto-grants-2016_04
HRID 632291 reaction equation
HRID 632291As reactantuspto-grants-2016_04
HRID 632292 reaction equation
HRID 632292As reactantuspto-grants-2016_04
HRID 632320 reaction equation
HRID 632320As reactantuspto-grants-2016_04
HRID 828893 reaction equation
HRID 828893As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 927676 reaction equation
HRID 927676As reactantuspto-grants-2016_03
HRID 927677 reaction equation
HRID 927677As reactantuspto-grants-2016_03
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Compound notes

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