6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C10H11NO3 — CID 590430

IUPAC6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)C1NCCc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14)
InChIKeyWQTOOVAQGWLHKC-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.66
Rot. Bonds1

About 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 590430) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID590430
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)C1NCCc2cc(O)ccc21
InChIInChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14)
InChIKeyWQTOOVAQGWLHKC-UHFFFAOYSA-N
XLogP0.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 590430) is 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is O=C(O)C1NCCc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is WQTOOVAQGWLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-7-1-2-8-6(5-7)3-4-11-9(8)10(13)14/h1-2,5,9,11-12H,3-4H2,(H,13,14).
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).