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

C10H11NO2 — CID 4178308

IUPAC1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H11NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKeyCQNSOIKACZHLHP-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.03
Rot. Bonds1

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

1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid (PubChem CID 4178308) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
PubChem CID4178308
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C10H11NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKeyCQNSOIKACZHLHP-UHFFFAOYSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid (CID 4178308) is 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid?
The InChIKey is CQNSOIKACZHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-2,5,11H,3-4,6H2,(H,12,13).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid?
1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid is sourced from PubChem (CID 4178308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).