methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate

C14H22N2O3 — CID 106614914

IUPACmethyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccc(C(=O)OC)o1)CC1CCCN1
InChIInChI=1S/C14H22N2O3/c1-3-16(9-11-5-4-8-15-11)10-12-6-7-13(19-12)14(17)18-2/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyVRBVMXQMRLYMSB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds6

About methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate (PubChem CID 106614914) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
PubChem CID106614914
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1ccc(C(=O)OC)o1)CC1CCCN1
InChIInChI=1S/C14H22N2O3/c1-3-16(9-11-5-4-8-15-11)10-12-6-7-13(19-12)14(17)18-2/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyVRBVMXQMRLYMSB-UHFFFAOYSA-N
XLogP1.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 106618138
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603634
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N,5-diethyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106625965
5-ethyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 79095320
5-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106610374
methyl 3-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 106616744
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate (CID 106614914) is methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate is CCN(Cc1ccc(C(=O)OC)o1)CC1CCCN1.
What is the InChIKey of methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is VRBVMXQMRLYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(9-11-5-4-8-15-11)10-12-6-7-13(19-12)14(17)18-2/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 106614914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).