2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid

C9H10N2O4 — CID 63913163

IUPAC2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cc1cccnc1
InChIInChI=1S/C9H10N2O4/c12-8(11-15-6-9(13)14)4-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,12)(H,13,14)
InChIKeyVFXJHAFVRZTPLZ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.24
Rot. Bonds5

About 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid

2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid (PubChem CID 63913163) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
PubChem CID63913163
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)Cc1cccnc1
InChIInChI=1S/C9H10N2O4/c12-8(11-15-6-9(13)14)4-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,12)(H,13,14)
InChIKeyVFXJHAFVRZTPLZ-UHFFFAOYSA-N
XLogP-0.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 66868100
CID 66868100
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-pyridin-3-ylacetyl chloride
CID 14697475
3-pyridin-3-yl-2-sulfanylidenepropanoic acid
CID 7376223
3-methoxy-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 103153354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid (CID 63913163) is 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid is O=C(O)CONC(=O)Cc1cccnc1.
What is the InChIKey of 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid?
The InChIKey is VFXJHAFVRZTPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(11-15-6-9(13)14)4-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid?
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid is sourced from PubChem (CID 63913163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).