2-[(5-methylisoquinolin-1-yl)amino]acetic acid

C12H12N2O2 — CID 82570882

IUPAC2-[(5-methylisoquinolin-1-yl)amino]acetic acid
SMILESCc1cccc2c(NCC(=O)O)nccc12
InChIInChI=1S/C12H12N2O2/c1-8-3-2-4-10-9(8)5-6-13-12(10)14-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyGTZWGADZGVYCPV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.04
Rot. Bonds3

About 2-[(5-methylisoquinolin-1-yl)amino]acetic acid

2-[(5-methylisoquinolin-1-yl)amino]acetic acid (PubChem CID 82570882) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(5-methylisoquinolin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methylisoquinolin-1-yl)amino]acetic acid
PubChem CID82570882
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[(5-methylisoquinolin-1-yl)amino]acetic acid
SMILESCc1cccc2c(NCC(=O)O)nccc12
InChIInChI=1S/C12H12N2O2/c1-8-3-2-4-10-9(8)5-6-13-12(10)14-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyGTZWGADZGVYCPV-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid
CID 82570911
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
N',N'-dimethyl-N-(5-methylisoquinolin-1-yl)ethane-1,2-diamine
CID 143389811
2-[(5,6-dimethoxyisoquinolin-1-yl)amino]acetic acid
CID 82571193
1-[(2-methoxy-2-oxoethyl)amino]isoquinoline-5-carboxylic acid
CID 82571116
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410
methyl 2-(5-methylisoquinolin-1-yl)acetate
CID 82575040
2-[(7-aminoisoquinolin-1-yl)amino]acetic acid
CID 82570060
3-[(5-cyanoisoquinolin-1-yl)amino]propanoic acid
CID 82570969
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylisoquinolin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(5-methylisoquinolin-1-yl)amino]acetic acid (CID 82570882) is 2-[(5-methylisoquinolin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methylisoquinolin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-methylisoquinolin-1-yl)amino]acetic acid is Cc1cccc2c(NCC(=O)O)nccc12.
What is the InChIKey of 2-[(5-methylisoquinolin-1-yl)amino]acetic acid?
The InChIKey is GTZWGADZGVYCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-2-4-10-9(8)5-6-13-12(10)14-7-11(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-methylisoquinolin-1-yl)amino]acetic acid?
2-[(5-methylisoquinolin-1-yl)amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylisoquinolin-1-yl)amino]acetic acid is sourced from PubChem (CID 82570882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).