2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid

C11H14N2O4 — CID 61328794

IUPAC2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1cccnc1
InChIInChI=1S/C11H14N2O4/c1-8(9-3-2-4-12-5-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyQPYKLQVJSNEYNJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid

2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid (PubChem CID 61328794) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
PubChem CID61328794
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
SMILESCC(NC(=O)COCC(=O)O)c1cccnc1
InChIInChI=1S/C11H14N2O4/c1-8(9-3-2-4-12-5-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyQPYKLQVJSNEYNJ-UHFFFAOYSA-N
XLogP0.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-[1-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]cyclopentyl]acetic acid
CID 81392956
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
2-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]acetic acid
CID 17267498
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
CID 43523594

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid (CID 61328794) is 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid is CC(NC(=O)COCC(=O)O)c1cccnc1.
What is the InChIKey of 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid?
The InChIKey is QPYKLQVJSNEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(9-3-2-4-12-5-9)13-10(14)6-17-7-11(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid?
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid is sourced from PubChem (CID 61328794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).