methyl 2-(pyridine-3-carbonylamino)acetate

C9H10N2O3 — CID 521804

IUPACmethyl 2-(pyridine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C9H10N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h2-5H,6H2,1H3,(H,11,13)
InChIKeyYZFCSHLOLUYQKO-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.02
Rot. Bonds3

About methyl 2-(pyridine-3-carbonylamino)acetate

methyl 2-(pyridine-3-carbonylamino)acetate (PubChem CID 521804) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-(pyridine-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(pyridine-3-carbonylamino)acetate
PubChem CID521804
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 2-(pyridine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C9H10N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h2-5H,6H2,1H3,(H,11,13)
InChIKeyYZFCSHLOLUYQKO-UHFFFAOYSA-N
XLogP-0.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridine-3-carbonylamino)acetate?
The IUPAC name of methyl 2-(pyridine-3-carbonylamino)acetate (CID 521804) is methyl 2-(pyridine-3-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(pyridine-3-carbonylamino)acetate?
The canonical SMILES for methyl 2-(pyridine-3-carbonylamino)acetate is COC(=O)CNC(=O)c1cccnc1.
What is the InChIKey of methyl 2-(pyridine-3-carbonylamino)acetate?
The InChIKey is YZFCSHLOLUYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8(12)6-11-9(13)7-3-2-4-10-5-7/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of methyl 2-(pyridine-3-carbonylamino)acetate?
methyl 2-(pyridine-3-carbonylamino)acetate has a molecular weight of 194.19 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridine-3-carbonylamino)acetate is sourced from PubChem (CID 521804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).