2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C15H18N2O4 — CID 65262849

IUPAC2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)16(2)9-14(19)17-7-11-5-3-4-6-12(11)13(8-17)15(20)21/h3-6,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyQZLGYYUQSCPCDY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.68
Rot. Bonds3

About 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 65262849) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID65262849
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCC(=O)N(C)CC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)16(2)9-14(19)17-7-11-5-3-4-6-12(11)13(8-17)15(20)21/h3-6,13H,7-9H2,1-2H3,(H,20,21)
InChIKeyQZLGYYUQSCPCDY-UHFFFAOYSA-N
XLogP0.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 65262849) is 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is CC(=O)N(C)CC(=O)N1Cc2ccccc2C(C(=O)O)C1.
What is the InChIKey of 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is QZLGYYUQSCPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)16(2)9-14(19)17-7-11-5-3-4-6-12(11)13(8-17)15(20)21/h3-6,13H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[acetyl(methyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 65262849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).