ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate

C12H18N2O3 — CID 82897754

IUPACethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCn1ccccc1=O
InChIInChI=1S/C12H18N2O3/c1-2-17-12(16)6-7-13-8-10-14-9-4-3-5-11(14)15/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyYNFZPTDESIAGEE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.39
Rot. Bonds7

About ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate

ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate (PubChem CID 82897754) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
PubChem CID82897754
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
SMILESCCOC(=O)CCNCCn1ccccc1=O
InChIInChI=1S/C12H18N2O3/c1-2-17-12(16)6-7-13-8-10-14-9-4-3-5-11(14)15/h3-5,9,13H,2,6-8,10H2,1H3
InChIKeyYNFZPTDESIAGEE-UHFFFAOYSA-N
XLogP0.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]ethyl]pyridin-2-one
CID 112689214
ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
CID 90624842
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
2-[2-(2-oxo-1-pyridinyl)ethylamino]oxyacetamide
CID 112673701
ethyl 3-(2-phenoxyethylamino)propanoate
CID 60647928
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate?
The IUPAC name of ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate (CID 82897754) is ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate is CCOC(=O)CCNCCn1ccccc1=O.
What is the InChIKey of ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate?
The InChIKey is YNFZPTDESIAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-12(16)6-7-13-8-10-14-9-4-3-5-11(14)15/h3-5,9,13H,2,6-8,10H2,1H3.
What are the key properties of ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate?
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate is sourced from PubChem (CID 82897754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).