2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid

C16H20N2O3 — CID 91837165

IUPAC2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1c(C)ccc2ncccc12
InChIInChI=1S/C16H20N2O3/c1-12-5-6-15-13(4-3-7-17-15)14(12)10-18(8-9-21-2)11-16(19)20/h3-7H,8-11H2,1-2H3,(H,19,20)
InChIKeyLIYJXOMKOOTFGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds7

About 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid (PubChem CID 91837165) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
PubChem CID91837165
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1c(C)ccc2ncccc12
InChIInChI=1S/C16H20N2O3/c1-12-5-6-15-13(4-3-7-17-15)14(12)10-18(8-9-21-2)11-16(19)20/h3-7H,8-11H2,1-2H3,(H,19,20)
InChIKeyLIYJXOMKOOTFGL-UHFFFAOYSA-N
XLogP2.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid (CID 91837165) is 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid is COCCN(CC(=O)O)Cc1c(C)ccc2ncccc12.
What is the InChIKey of 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid?
The InChIKey is LIYJXOMKOOTFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-5-6-15-13(4-3-7-17-15)14(12)10-18(8-9-21-2)11-16(19)20/h3-7H,8-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid?
2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(6-methylquinolin-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 91837165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).