(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C10H11NO2 — CID 6542094

IUPAC(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)[C@@H]1NCCc2ccccc21
InChIInChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyOXFGRWIKQDSSLY-SECBINFHSA-N
MW177.20 g/mol
LogP0.96
Rot. Bonds1

About (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 6542094) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID6542094
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)[C@@H]1NCCc2ccccc21
InChIInChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m1/s1
InChIKeyOXFGRWIKQDSSLY-SECBINFHSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 6542094) is (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is O=C(O)[C@@H]1NCCc2ccccc21.
What is the InChIKey of (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is OXFGRWIKQDSSLY-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
(1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 6542094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).