2-[(6-methylcinnolin-4-yl)amino]acetic acid

C11H11N3O2 — CID 58562624

IUPAC2-[(6-methylcinnolin-4-yl)amino]acetic acid
SMILESCc1ccc2nncc(NCC(=O)O)c2c1
InChIInChI=1S/C11H11N3O2/c1-7-2-3-9-8(4-7)10(5-13-14-9)12-6-11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyNGOWTOKQLUUIGN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.43
Rot. Bonds3

About 2-[(6-methylcinnolin-4-yl)amino]acetic acid

2-[(6-methylcinnolin-4-yl)amino]acetic acid (PubChem CID 58562624) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[(6-methylcinnolin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methylcinnolin-4-yl)amino]acetic acid
PubChem CID58562624
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[(6-methylcinnolin-4-yl)amino]acetic acid
SMILESCc1ccc2nncc(NCC(=O)O)c2c1
InChIInChI=1S/C11H11N3O2/c1-7-2-3-9-8(4-7)10(5-13-14-9)12-6-11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyNGOWTOKQLUUIGN-UHFFFAOYSA-N
XLogP1.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methylcinnolin-4-yl)amino]acetic 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-[(6-methylcinnolin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methylcinnolin-4-yl)amino]acetic acid (CID 58562624) is 2-[(6-methylcinnolin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methylcinnolin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methylcinnolin-4-yl)amino]acetic acid is Cc1ccc2nncc(NCC(=O)O)c2c1.
What is the InChIKey of 2-[(6-methylcinnolin-4-yl)amino]acetic acid?
The InChIKey is NGOWTOKQLUUIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-2-3-9-8(4-7)10(5-13-14-9)12-6-11(15)16/h2-5H,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(6-methylcinnolin-4-yl)amino]acetic acid?
2-[(6-methylcinnolin-4-yl)amino]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcinnolin-4-yl)amino]acetic acid is sourced from PubChem (CID 58562624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).