2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid

C13H16N2O6 — CID 107433700

IUPAC2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyAAQULNBHAKQWTC-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.28
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid (PubChem CID 107433700) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
PubChem CID107433700
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18)
InChIKeyAAQULNBHAKQWTC-UHFFFAOYSA-N
XLogP-0.28
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)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-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid (CID 107433700) is 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid is COc1cccc(OC)c1C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
The InChIKey is AAQULNBHAKQWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-20-8-4-3-5-9(21-2)12(8)13(19)15(6-10(14)16)7-11(17)18/h3-5H,6-7H2,1-2H3,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 107433700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).