7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C11H14N2O2 — CID 20588416

IUPAC7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCN1Cc2cc(N)ccc2CC1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-6-8-4-9(12)3-2-7(8)5-10(13)11(14)15/h2-4,10H,5-6,12H2,1H3,(H,14,15)
InChIKeyFZRZEASPDXYMQF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.71
Rot. Bonds1

About 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (PubChem CID 20588416) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
PubChem CID20588416
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCN1Cc2cc(N)ccc2CC1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-6-8-4-9(12)3-2-7(8)5-10(13)11(14)15/h2-4,10H,5-6,12H2,1H3,(H,14,15)
InChIKeyFZRZEASPDXYMQF-UHFFFAOYSA-N
XLogP0.71
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
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 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The IUPAC name of 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (CID 20588416) is 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The canonical SMILES for 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is CN1Cc2cc(N)ccc2CC1C(=O)O.
What is the InChIKey of 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The InChIKey is FZRZEASPDXYMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-8-4-9(12)3-2-7(8)5-10(13)11(14)15/h2-4,10H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is sourced from PubChem (CID 20588416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).