ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate

C11H15N3O3 — CID 106936673

IUPACethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)c1ccncc1
InChIInChI=1S/C11H15N3O3/c1-3-17-10(15)8-13-11(16)14(2)9-4-6-12-7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyDGWQOCREFPPIBS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate

ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate (PubChem CID 106936673) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
PubChem CID106936673
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)c1ccncc1
InChIInChI=1S/C11H15N3O3/c1-3-17-10(15)8-13-11(16)14(2)9-4-6-12-7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyDGWQOCREFPPIBS-UHFFFAOYSA-N
XLogP0.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 69070327
ethyl 2-[[(E)-pyridin-4-ylmethylideneamino]oxycarbonylamino]acetate
CID 134118237
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate (CID 106936673) is ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)c1ccncc1.
What is the InChIKey of ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate?
The InChIKey is DGWQOCREFPPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-17-10(15)8-13-11(16)14(2)9-4-6-12-7-5-9/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate?
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate is sourced from PubChem (CID 106936673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).