methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate

C10H12N2O3 — CID 112616794

IUPACmethyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
SMILESCOC(=O)C(=O)NCCc1cccnc1
InChIInChI=1S/C10H12N2O3/c1-15-10(14)9(13)12-6-4-8-3-2-5-11-7-8/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyWXLCNFLWJKJUIC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.09
Rot. Bonds3

About methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate

methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate (PubChem CID 112616794) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
PubChem CID112616794
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
SMILESCOC(=O)C(=O)NCCc1cccnc1
InChIInChI=1S/C10H12N2O3/c1-15-10(14)9(13)12-6-4-8-3-2-5-11-7-8/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyWXLCNFLWJKJUIC-UHFFFAOYSA-N
XLogP-0.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1-cyano-N-(2-pyridin-3-ylethyl)formamide
CID 115172568
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
N'-[[(Z)-but-2-enylidene]amino]-N-(2-pyridin-3-ylethyl)oxamide
CID 174156826
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
3-methoxy-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 103158690

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate (CID 112616794) is methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate is COC(=O)C(=O)NCCc1cccnc1.
What is the InChIKey of methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate?
The InChIKey is WXLCNFLWJKJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-10(14)9(13)12-6-4-8-3-2-5-11-7-8/h2-3,5,7H,4,6H2,1H3,(H,12,13).
What are the key properties of methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate?
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate has a molecular weight of 208.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate is sourced from PubChem (CID 112616794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).