argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C10H11ArNO2 — CID 160886017

IUPACargon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)C1NCCc2ccccc21.[Ar]
InChIInChI=1S/C10H11NO2.Ar/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);
InChIKeySNQJMMRNAUXSBM-UHFFFAOYSA-N
MW217.15 g/mol
LogP0.96
Rot. Bonds1

About argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 160886017) has the molecular formula C10H11ArNO2 and a molecular weight of 217.15 g/mol. Its IUPAC name is argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Nameargon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID160886017
Molecular FormulaC10H11ArNO2
Molecular Weight217.15 g/mol
Exact Mass217.04
IUPAC Nameargon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESO=C(O)C1NCCc2ccccc21.[Ar]
InChIInChI=1S/C10H11NO2.Ar/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);
InChIKeySNQJMMRNAUXSBM-UHFFFAOYSA-N
XLogP0.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
N-phenyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 23333350
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
(1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130632963
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338
(1R)-7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 86330126
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
(1R)-6-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130673633
1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
CID 82410142
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 66523703

Frequently Asked Questions

What is the IUPAC name of argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 160886017) is argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is O=C(O)C1NCCc2ccccc21.[Ar].
What is the InChIKey of argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is SNQJMMRNAUXSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.Ar/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);.
What are the key properties of argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 217.15 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 argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 160886017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).