methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

C13H18N2O4 — CID 47018647

IUPACmethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyFIOFABSNSBBOFC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.78
Rot. Bonds6

About methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate

methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (PubChem CID 47018647) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
PubChem CID47018647
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(C)CC(=O)NC1CC1
InChIInChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)
InChIKeyFIOFABSNSBBOFC-UHFFFAOYSA-N
XLogP0.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate (CID 47018647) is methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(C)CC(=O)NC1CC1.
What is the InChIKey of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
The InChIKey is FIOFABSNSBBOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(8-12(16)14-9-3-4-9)7-11-10(5-6-19-11)13(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate?
methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 47018647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).