methyl 3-[1-(furan-2-yl)ethylamino]propanoate

C10H15NO3 — CID 43139742

IUPACmethyl 3-[1-(furan-2-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccco1
InChIInChI=1S/C10H15NO3/c1-8(9-4-3-7-14-9)11-6-5-10(12)13-2/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyLKXBWGOCCOCODN-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.49
Rot. Bonds5

About methyl 3-[1-(furan-2-yl)ethylamino]propanoate

methyl 3-[1-(furan-2-yl)ethylamino]propanoate (PubChem CID 43139742) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 3-[1-(furan-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(furan-2-yl)ethylamino]propanoate
PubChem CID43139742
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 3-[1-(furan-2-yl)ethylamino]propanoate
SMILESCOC(=O)CCNC(C)c1ccco1
InChIInChI=1S/C10H15NO3/c1-8(9-4-3-7-14-9)11-6-5-10(12)13-2/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyLKXBWGOCCOCODN-UHFFFAOYSA-N
XLogP1.49
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
CID 86866759
N'-[1-(furan-2-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62561068
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
methyl 3-[1-(4-methylphenyl)ethylamino]propanoate
CID 43139755
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(furan-2-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[1-(furan-2-yl)ethylamino]propanoate (CID 43139742) is methyl 3-[1-(furan-2-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[1-(furan-2-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[1-(furan-2-yl)ethylamino]propanoate is COC(=O)CCNC(C)c1ccco1.
What is the InChIKey of methyl 3-[1-(furan-2-yl)ethylamino]propanoate?
The InChIKey is LKXBWGOCCOCODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(9-4-3-7-14-9)11-6-5-10(12)13-2/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of methyl 3-[1-(furan-2-yl)ethylamino]propanoate?
methyl 3-[1-(furan-2-yl)ethylamino]propanoate has a molecular weight of 197.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(furan-2-yl)ethylamino]propanoate is sourced from PubChem (CID 43139742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).