5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C11H13NO4 — CID 83891038

IUPAC5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1cc(O)c2c(c1)C(C(=O)O)NCC2
InChIInChI=1S/C11H13NO4/c1-16-6-4-8-7(9(13)5-6)2-3-12-10(8)11(14)15/h4-5,10,12-13H,2-3H2,1H3,(H,14,15)
InChIKeyOLZSNFOMAMPIRW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.67
Rot. Bonds2

About 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 83891038) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID83891038
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESCOc1cc(O)c2c(c1)C(C(=O)O)NCC2
InChIInChI=1S/C11H13NO4/c1-16-6-4-8-7(9(13)5-6)2-3-12-10(8)11(14)15/h4-5,10,12-13H,2-3H2,1H3,(H,14,15)
InChIKeyOLZSNFOMAMPIRW-UHFFFAOYSA-N
XLogP0.67
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 3160572
1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-1-methyl-1-isoquinolinecarboxylic acid
CID 320322
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, ethyl ester
CID 32106
(1S,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11790412
(1R,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 145987892
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-
CID 854137
6-Methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 44890862
Methyl 6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 145916
7-Hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 44284735
(1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate
CID 6999659
Salsoline-1-carboxylate
CID 6999660
(1S)-5-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid hydrochloride
CID 122130950

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 83891038) is 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is COc1cc(O)c2c(c1)C(C(=O)O)NCC2.
What is the InChIKey of 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is OLZSNFOMAMPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-6-4-8-7(9(13)5-6)2-3-12-10(8)11(14)15/h4-5,10,12-13H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 83891038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).