ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate

C14H20N2O3 — CID 79783450

IUPACethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(CNC2CC2)nc1
InChIInChI=1S/C14H20N2O3/c1-3-18-14(17)10(2)19-13-7-6-12(16-9-13)8-15-11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3
InChIKeyAUXMGGBAYZTKSE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds7

About ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate

ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate (PubChem CID 79783450) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
PubChem CID79783450
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(CNC2CC2)nc1
InChIInChI=1S/C14H20N2O3/c1-3-18-14(17)10(2)19-13-7-6-12(16-9-13)8-15-11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3
InChIKeyAUXMGGBAYZTKSE-UHFFFAOYSA-N
XLogP1.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanoate
CID 79800630
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 79781511
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
5-(1-ethoxy-1-oxopropan-2-yl)oxypyridine-2-carboxylic acid
CID 79794956
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate?
The IUPAC name of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate (CID 79783450) is ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate.
What is the SMILES notation for ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate?
The canonical SMILES for ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate is CCOC(=O)C(C)Oc1ccc(CNC2CC2)nc1.
What is the InChIKey of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate?
The InChIKey is AUXMGGBAYZTKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-18-14(17)10(2)19-13-7-6-12(16-9-13)8-15-11-4-5-11/h6-7,9-11,15H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate?
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate is sourced from PubChem (CID 79783450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).