2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C15H20N2O3 — CID 65262767

IUPAC2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCC(C)CNC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-10(2)7-16-15(20)17-8-11-5-3-4-6-12(11)13(9-17)14(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIWPHTIBDXRPXFE-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds3

About 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 65262767) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID65262767
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCC(C)CNC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-10(2)7-16-15(20)17-8-11-5-3-4-6-12(11)13(9-17)14(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIWPHTIBDXRPXFE-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 65262767) is 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is CC(C)CNC(=O)N1Cc2ccccc2C(C(=O)O)C1.
What is the InChIKey of 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is IWPHTIBDXRPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)7-16-15(20)17-8-11-5-3-4-6-12(11)13(9-17)14(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 65262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).