1-Methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-propionic acid

HCID 12204530
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Basic information

Standard SMILES
CC1(CCC(=O)O)OCCc2c1[nH]c1ccccc21
InChIKey
XTQDBFNNLLTHOP-UHFFFAOYSA-N
Molecular formula
C15H17NO3
Average molar mass
259.3 g/mol
Monoisotopic mass
259.1208434

Names & identifiers

Preferred name
1-Methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-propionic acid
IUPAC
3-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propanoic acid

Names & synonyms

SCHEMBL11597100XTQDBFNNLLTHOP-UHFFFAOYSA-N1-Methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-propionic acid

Database identifiers

PubChem CID
12204530

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
62.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

Related reactions

3 records
New reaction record

Linked notes

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