1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid

C10H11NO4 — CID 174555364

IUPAC1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid
SMILESO=C(O)C1=C2C=CCC=C2C(O)NC1O
InChIInChI=1S/C10H11NO4/c12-8-6-4-2-1-3-5(6)7(10(14)15)9(13)11-8/h1,3-4,8-9,11-13H,2H2,(H,14,15)
InChIKeyDSOGULKMHWDRON-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.51
Rot. Bonds1

About 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid

1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid (PubChem CID 174555364) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid
PubChem CID174555364
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid
SMILESO=C(O)C1=C2C=CCC=C2C(O)NC1O
InChIInChI=1S/C10H11NO4/c12-8-6-4-2-1-3-5(6)7(10(14)15)9(13)11-8/h1,3-4,8-9,11-13H,2H2,(H,14,15)
InChIKeyDSOGULKMHWDRON-UHFFFAOYSA-N
XLogP-0.51
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid?
The IUPAC name of 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid (CID 174555364) is 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid.
What is the SMILES notation for 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid?
The canonical SMILES for 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid is O=C(O)C1=C2C=CCC=C2C(O)NC1O.
What is the InChIKey of 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid?
The InChIKey is DSOGULKMHWDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-8-6-4-2-1-3-5(6)7(10(14)15)9(13)11-8/h1,3-4,8-9,11-13H,2H2,(H,14,15).
What are the key properties of 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid?
1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-1,2,3,7-tetrahydroisoquinoline-4-carboxylic acid is sourced from PubChem (CID 174555364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).