methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate

C13H20N2O3 — CID 54950173

IUPACmethyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCN(C)C2)oc1C
InChIInChI=1S/C13H20N2O3/c1-9-12(13(16)17-3)6-11(18-9)7-14-10-4-5-15(2)8-10/h6,10,14H,4-5,7-8H2,1-3H3
InChIKeyGQGIPSJEBDQHHR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate (PubChem CID 54950173) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
PubChem CID54950173
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCN(C)C2)oc1C
InChIInChI=1S/C13H20N2O3/c1-9-12(13(16)17-3)6-11(18-9)7-14-10-4-5-15(2)8-10/h6,10,14H,4-5,7-8H2,1-3H3
InChIKeyGQGIPSJEBDQHHR-UHFFFAOYSA-N
XLogP1.17
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452
methyl 2-methyl-5-[[(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)amino]methyl]furan-3-carboxylate
CID 75497517
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrrolidin-3-amine
CID 115710716
5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 103923326
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate (CID 54950173) is methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2CCN(C)C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is GQGIPSJEBDQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-12(13(16)17-3)6-11(18-9)7-14-10-4-5-15(2)8-10/h6,10,14H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 54950173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).