ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate

C13H16N2O3 — CID 103911820

IUPACethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccc2occc12
InChIInChI=1S/C13H16N2O3/c1-3-17-12(16)5-8-15(2)13-10-6-9-18-11(10)4-7-14-13/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyWEAVRFWVECLQAU-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.22
Rot. Bonds5

About ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate

ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate (PubChem CID 103911820) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
PubChem CID103911820
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccc2occc12
InChIInChI=1S/C13H16N2O3/c1-3-17-12(16)5-8-15(2)13-10-6-9-18-11(10)4-7-14-13/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyWEAVRFWVECLQAU-UHFFFAOYSA-N
XLogP2.22
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
CID 106534889
N'-furo[3,2-c]pyridin-4-yl-N'-methyl-N-propylethane-1,2-diamine
CID 106535582
ethyl 3-[(4-carbamothioylpyridazin-3-yl)-methylamino]propanoate
CID 80511255
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
CID 114074473
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
4-[[ethyl(furo[3,2-c]pyridin-4-yl)amino]methyl]-N,N-dimethylbenzamide
CID 86805556
N-(1-chloropropan-2-yl)-N-methylfuro[3,2-c]pyridin-4-amine
CID 106535724

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate?
The IUPAC name of ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate (CID 103911820) is ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate?
The canonical SMILES for ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate is CCOC(=O)CCN(C)c1nccc2occc12.
What is the InChIKey of ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate?
The InChIKey is WEAVRFWVECLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-17-12(16)5-8-15(2)13-10-6-9-18-11(10)4-7-14-13/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate?
ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate has a molecular weight of 248.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[furo[3,2-c]pyridin-4-yl(methyl)amino]propanoate is sourced from PubChem (CID 103911820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).