2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid

C12H16N2O4 — CID 54969241

IUPAC2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1ccncc1
InChIInChI=1S/C12H16N2O4/c1-18-7-6-14(9-12(16)17)11(15)8-10-2-4-13-5-3-10/h2-5H,6-9H2,1H3,(H,16,17)
InChIKeyVTVIOQQWFIDMMH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds7

About 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid

2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid (PubChem CID 54969241) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
PubChem CID54969241
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Cc1ccncc1
InChIInChI=1S/C12H16N2O4/c1-18-7-6-14(9-12(16)17)11(15)8-10-2-4-13-5-3-10/h2-5H,6-9H2,1H3,(H,16,17)
InChIKeyVTVIOQQWFIDMMH-UHFFFAOYSA-N
XLogP0.18
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189031
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
2-[[2-(4-bromo-3-fluorophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 120516212
2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[2-methoxyethyl-[(3-methyl-4-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 114701353
2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189734
2-[2-methoxyethyl-[2-(2-methylimidazol-1-yl)acetyl]amino]acetic acid
CID 121498187
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid (CID 54969241) is 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Cc1ccncc1.
What is the InChIKey of 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
The InChIKey is VTVIOQQWFIDMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-6-14(9-12(16)17)11(15)8-10-2-4-13-5-3-10/h2-5H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid?
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid is sourced from PubChem (CID 54969241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).