methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate

C13H20N2O3 — CID 107424626

IUPACmethyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2(C)CCNC2)oc1C
InChIInChI=1S/C13H20N2O3/c1-9-11(12(16)17-3)6-10(18-9)7-15-13(2)4-5-14-8-13/h6,14-15H,4-5,7-8H2,1-3H3
InChIKeyMYJBCUXIMANRNH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate (PubChem CID 107424626) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
PubChem CID107424626
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2(C)CCNC2)oc1C
InChIInChI=1S/C13H20N2O3/c1-9-11(12(16)17-3)6-10(18-9)7-15-13(2)4-5-14-8-13/h6,14-15H,4-5,7-8H2,1-3H3
InChIKeyMYJBCUXIMANRNH-UHFFFAOYSA-N
XLogP1.22
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 120623331
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 115358697
methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
CID 9401563
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 2-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-3-carboxylate
CID 80725751
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate (CID 107424626) is methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2(C)CCNC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is MYJBCUXIMANRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-11(12(16)17-3)6-10(18-9)7-15-13(2)4-5-14-8-13/h6,14-15H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 107424626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).