ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate

C14H22N2O3 — CID 55167904

IUPACethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(CNC)C1
InChIInChI=1S/C14H22N2O3/c1-3-18-14(17)12-5-7-19-13(12)10-16-6-4-11(9-16)8-15-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyIDIRLYXDJAIQHK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds6

About ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 55167904) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
PubChem CID55167904
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCC(CNC)C1
InChIInChI=1S/C14H22N2O3/c1-3-18-14(17)12-5-7-19-13(12)10-16-6-4-11(9-16)8-15-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyIDIRLYXDJAIQHK-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
ethyl 2-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]furan-3-carboxylate
CID 103352925
ethyl 2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 80506842
ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 62737323
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436
ethyl 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]furan-3-carboxylate
CID 18083540
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate (CID 55167904) is ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCC(CNC)C1.
What is the InChIKey of ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is IDIRLYXDJAIQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-18-14(17)12-5-7-19-13(12)10-16-6-4-11(9-16)8-15-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 55167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).