ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate

C12H16N2O3 — CID 62690912

IUPACethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)9(2)14-11(15)7-10-5-4-6-13-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyJHCPIAYEHQUJIN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate

ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (PubChem CID 62690912) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
PubChem CID62690912
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1cccnc1
InChIInChI=1S/C12H16N2O3/c1-3-17-12(16)9(2)14-11(15)7-10-5-4-6-13-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)
InChIKeyJHCPIAYEHQUJIN-UHFFFAOYSA-N
XLogP0.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 22492127
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate (CID 62690912) is ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is CCOC(=O)C(C)NC(=O)Cc1cccnc1.
What is the InChIKey of ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
The InChIKey is JHCPIAYEHQUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-12(16)9(2)14-11(15)7-10-5-4-6-13-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate?
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate is sourced from PubChem (CID 62690912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).