methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate

C13H19NO3 — CID 43231961

IUPACmethyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)C2CC2)oc1C
InChIInChI=1S/C13H19NO3/c1-8(10-4-5-10)14-7-11-6-12(9(2)17-11)13(15)16-3/h6,8,10,14H,4-5,7H2,1-3H3
InChIKeyZJSFENKSIQWZQM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.26
Rot. Bonds5

About methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate (PubChem CID 43231961) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
PubChem CID43231961
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)C2CC2)oc1C
InChIInChI=1S/C13H19NO3/c1-8(10-4-5-10)14-7-11-6-12(9(2)17-11)13(15)16-3/h6,8,10,14H,4-5,7H2,1-3H3
InChIKeyZJSFENKSIQWZQM-UHFFFAOYSA-N
XLogP2.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
methyl 5-[(1-cyclohexylpropylamino)methyl]-2-methylfuran-3-carboxylate
CID 62406987
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 43779505
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81375393

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate (CID 43231961) is methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNC(C)C2CC2)oc1C.
What is the InChIKey of methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is ZJSFENKSIQWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(10-4-5-10)14-7-11-6-12(9(2)17-11)13(15)16-3/h6,8,10,14H,4-5,7H2,1-3H3.
What are the key properties of methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 43231961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).