methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate

C13H20N2O4 — CID 86866759

IUPACmethyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CN(C)C(C)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-10(11-5-4-8-19-11)15(2)9-12(16)14-7-6-13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyLVLONOMORNOBGD-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.95
Rot. Bonds7

About methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate

methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate (PubChem CID 86866759) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
PubChem CID86866759
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CN(C)C(C)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-10(11-5-4-8-19-11)15(2)9-12(16)14-7-6-13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeyLVLONOMORNOBGD-UHFFFAOYSA-N
XLogP0.95
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
methyl 3-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]propanoate
CID 78818348
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate (CID 86866759) is methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CN(C)C(C)c1ccco1.
What is the InChIKey of methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate?
The InChIKey is LVLONOMORNOBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10(11-5-4-8-19-11)15(2)9-12(16)14-7-6-13(17)18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate?
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate has a molecular weight of 268.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate is sourced from PubChem (CID 86866759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).