(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C10H12N2O2 — CID 86316644

IUPAC(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)C[C@H](C(=O)O)NC2
InChIInChI=1S/C10H12N2O2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1
InChIKeyZWQXRXIJLDMLST-SECBINFHSA-N
MW192.22 g/mol
LogP0.37
Rot. Bonds1

About (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 86316644) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID86316644
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESNc1ccc2c(c1)C[C@H](C(=O)O)NC2
InChIInChI=1S/C10H12N2O2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1
InChIKeyZWQXRXIJLDMLST-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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Related Compounds

(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
methyl (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 99908919
6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 70073886
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 2733173
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
6-(carboxymethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406815
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
7-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406802
6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 176701262
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026

Frequently Asked Questions

What is the IUPAC name of (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 86316644) is (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is Nc1ccc2c(c1)C[C@H](C(=O)O)NC2.
What is the InChIKey of (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is ZWQXRXIJLDMLST-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
(3R)-6-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)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 86316644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).