ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate

C13H18N2O3 — CID 61344596

IUPACethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1cccnc1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)10(2)15-12(16)7-6-11-5-4-8-14-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeySLTMCCFFSKVDSP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds6

About ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate

ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate (PubChem CID 61344596) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
PubChem CID61344596
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1cccnc1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)10(2)15-12(16)7-6-11-5-4-8-14-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeySLTMCCFFSKVDSP-UHFFFAOYSA-N
XLogP1.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
ethyl 3-pyridin-3-ylpropanoate;hydrazine;3-pyridin-3-ylpropanehydrazide
CID 159498879
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 22492127
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
CID 86828425
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate?
The IUPAC name of ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate (CID 61344596) is ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate?
The canonical SMILES for ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate is CCOC(=O)C(C)NC(=O)CCc1cccnc1.
What is the InChIKey of ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate?
The InChIKey is SLTMCCFFSKVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(17)10(2)15-12(16)7-6-11-5-4-8-14-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate?
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate has a molecular weight of 250.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate is sourced from PubChem (CID 61344596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).