methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate

C13H19NO3 — CID 115905012

IUPACmethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)o1
InChIInChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCAFYHNCRQUGDPM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds6

About methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate

methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate (PubChem CID 115905012) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
PubChem CID115905012
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC(C)C2CC2)o1
InChIInChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3
InChIKeyCAFYHNCRQUGDPM-UHFFFAOYSA-N
XLogP2.20
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
CID 104588713
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate (CID 115905012) is methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC(C)C2CC2)o1.
What is the InChIKey of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
The InChIKey is CAFYHNCRQUGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(10-3-4-10)7-14-8-11-5-6-12(17-11)13(15)16-2/h5-6,9-10,14H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate?
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 115905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).