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

C16H20N2O3 — CID 65262768

IUPAC2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NC2CCCC2)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c19-15(20)14-10-18(9-11-5-1-4-8-13(11)14)16(21)17-12-6-2-3-7-12/h1,4-5,8,12,14H,2-3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyWRWBMYPMSLRPJL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.32
Rot. Bonds2

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

2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 65262768) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID65262768
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NC2CCCC2)Cc2ccccc21
InChIInChI=1S/C16H20N2O3/c19-15(20)14-10-18(9-11-5-1-4-8-13(11)14)16(21)17-12-6-2-3-7-12/h1,4-5,8,12,14H,2-3,6-7,9-10H2,(H,17,21)(H,19,20)
InChIKeyWRWBMYPMSLRPJL-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclobutylacetyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 103932735
2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262767
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 104901202
2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263301
2-(2-methylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260956
2-(2-ethoxyethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260574
2-(3-methoxypropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260999
2-(3,3,3-trifluoropropanoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262854
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 81133829
2-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263251
(4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 96968919
2-(2-methylcyclohexyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260874

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 65262768) is 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is O=C(O)C1CN(C(=O)NC2CCCC2)Cc2ccccc21.
What is the InChIKey of 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is WRWBMYPMSLRPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)14-10-18(9-11-5-1-4-8-13(11)14)16(21)17-12-6-2-3-7-12/h1,4-5,8,12,14H,2-3,6-7,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 65262768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).