methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate

C11H17NO3 — CID 78918049

IUPACmethyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ccoc1
InChIInChI=1S/C11H17NO3/c1-3-12(6-4-11(13)14-2)8-10-5-7-15-9-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyFBIMACGYDIUFAY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.66
Rot. Bonds6

About methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate

methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate (PubChem CID 78918049) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
PubChem CID78918049
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ccoc1
InChIInChI=1S/C11H17NO3/c1-3-12(6-4-11(13)14-2)8-10-5-7-15-9-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyFBIMACGYDIUFAY-UHFFFAOYSA-N
XLogP1.66
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 3-[(2-cyano-4-pyridinyl)methyl-ethylamino]propanoate
CID 63881816
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate
CID 62066641
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
methyl 3-[(2,3-dichlorophenyl)methyl-ethylamino]propanoate
CID 113228358

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate (CID 78918049) is methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate is CCN(CCC(=O)OC)Cc1ccoc1.
What is the InChIKey of methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate?
The InChIKey is FBIMACGYDIUFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-12(6-4-11(13)14-2)8-10-5-7-15-9-10/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate?
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate is sourced from PubChem (CID 78918049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).