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

C15H22N2O3 — CID 79781152

IUPACethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(CNC2CC2)nc1
InChIInChI=1S/C15H22N2O3/c1-3-14(15(18)19-4-2)20-13-8-7-12(17-10-13)9-16-11-5-6-11/h7-8,10-11,14,16H,3-6,9H2,1-2H3
InChIKeyJHUPJCORLGNCLR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds8

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

ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate (PubChem CID 79781152) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
PubChem CID79781152
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
SMILESCCOC(=O)C(CC)Oc1ccc(CNC2CC2)nc1
InChIInChI=1S/C15H22N2O3/c1-3-14(15(18)19-4-2)20-13-8-7-12(17-10-13)9-16-11-5-6-11/h7-8,10-11,14,16H,3-6,9H2,1-2H3
InChIKeyJHUPJCORLGNCLR-UHFFFAOYSA-N
XLogP2.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]butanoate
CID 79800006
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
ethyl 2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]pentanoate
CID 83038413
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
ethyl 4-[(5-hydroxy-2-pyridinyl)methylamino]cyclohexane-1-carboxylate
CID 79781511
3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
CID 79781169
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate?
The IUPAC name of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate (CID 79781152) is ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate.
What is the SMILES notation for ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate?
The canonical SMILES for ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate is CCOC(=O)C(CC)Oc1ccc(CNC2CC2)nc1.
What is the InChIKey of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate?
The InChIKey is JHUPJCORLGNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-14(15(18)19-4-2)20-13-8-7-12(17-10-13)9-16-11-5-6-11/h7-8,10-11,14,16H,3-6,9H2,1-2H3.
What are the key properties of ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate?
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate has a molecular weight of 278.35 g/mol, XLogP of 2.05, 8 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]butanoate is sourced from PubChem (CID 79781152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).