ethyl 2-oxo-2-(pyridin-3-ylamino)acetate

C9H10N2O3 — CID 521442

IUPACethyl 2-oxo-2-(pyridin-3-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)8(12)11-7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyDSMSFNNXCMCOLU-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.58
Rot. Bonds2

About ethyl 2-oxo-2-(pyridin-3-ylamino)acetate

ethyl 2-oxo-2-(pyridin-3-ylamino)acetate (PubChem CID 521442) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 2-oxo-2-(pyridin-3-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(pyridin-3-ylamino)acetate
PubChem CID521442
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 2-oxo-2-(pyridin-3-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)8(12)11-7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyDSMSFNNXCMCOLU-UHFFFAOYSA-N
XLogP0.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(pyridin-3-ylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(pyridin-3-ylamino)acetate (CID 521442) is ethyl 2-oxo-2-(pyridin-3-ylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(pyridin-3-ylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(pyridin-3-ylamino)acetate is CCOC(=O)C(=O)Nc1cccnc1.
What is the InChIKey of ethyl 2-oxo-2-(pyridin-3-ylamino)acetate?
The InChIKey is DSMSFNNXCMCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(13)8(12)11-7-4-3-5-10-6-7/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 2-oxo-2-(pyridin-3-ylamino)acetate?
ethyl 2-oxo-2-(pyridin-3-ylamino)acetate has a molecular weight of 194.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(pyridin-3-ylamino)acetate is sourced from PubChem (CID 521442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).