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

C14H21NO3 — CID 63278183

IUPACmethyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCCC2C)oc1C
InChIInChI=1S/C14H21NO3/c1-9-5-4-6-13(9)15-8-11-7-12(10(2)18-11)14(16)17-3/h7,9,13,15H,4-6,8H2,1-3H3
InChIKeyQZRWEXWCMGBORG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.65
Rot. Bonds4

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

methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate (PubChem CID 63278183) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
PubChem CID63278183
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC2CCCC2C)oc1C
InChIInChI=1S/C14H21NO3/c1-9-5-4-6-13(9)15-8-11-7-12(10(2)18-11)14(16)17-3/h7,9,13,15H,4-6,8H2,1-3H3
InChIKeyQZRWEXWCMGBORG-UHFFFAOYSA-N
XLogP2.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-5-[[(2-methylsulfanylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 103923326
methyl 5-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 43222452
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[[cyclohexyl(methyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 39903877
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate (CID 63278183) is methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC2CCCC2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate?
The InChIKey is QZRWEXWCMGBORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-5-4-6-13(9)15-8-11-7-12(10(2)18-11)14(16)17-3/h7,9,13,15H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 63278183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).