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

C10H12N2O4 — CID 3643287

IUPAC2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C10H12N2O4/c13-9(6-16-7-10(14)15)12-5-8-2-1-3-11-4-8/h1-4H,5-7H2,(H,12,13)(H,14,15)
InChIKeyWYZOZULMZZOXIC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.20
Rot. Bonds6

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

2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid (PubChem CID 3643287) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
PubChem CID3643287
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1cccnc1
InChIInChI=1S/C10H12N2O4/c13-9(6-16-7-10(14)15)12-5-8-2-1-3-11-4-8/h1-4H,5-7H2,(H,12,13)(H,14,15)
InChIKeyWYZOZULMZZOXIC-UHFFFAOYSA-N
XLogP-0.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetyl]amino]propanoic acid
CID 119362434
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-[2-[(3-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328410
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119598066
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 120572330

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid (CID 3643287) is 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid is O=C(O)COCC(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid?
The InChIKey is WYZOZULMZZOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(6-16-7-10(14)15)12-5-8-2-1-3-11-4-8/h1-4H,5-7H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid?
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.20, 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-(pyridin-3-ylmethylamino)ethoxy]acetic acid is sourced from PubChem (CID 3643287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).