(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C10H12N2O2 — CID 18392778

IUPAC(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)CN[C@@H](C(=O)O)C2
InChIInChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1
InChIKeyHXXXNZYXVHOELA-SECBINFHSA-N
MW192.22 g/mol
LogP0.37
Rot. Bonds1

About (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 18392778) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID18392778
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)CN[C@@H](C(=O)O)C2
InChIInChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1
InChIKeyHXXXNZYXVHOELA-SECBINFHSA-N
XLogP0.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 18392778) is (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is Nc1ccc2c(c1)CN[C@@H](C(=O)O)C2.
What is the InChIKey of (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is HXXXNZYXVHOELA-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 18392778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).