methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate

C13H20N2O3 — CID 62063570

IUPACmethyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCC(CN)C2)cc1C
InChIInChI=1S/C13H20N2O3/c1-9-5-11(18-12(9)13(16)17-2)8-15-4-3-10(6-14)7-15/h5,10H,3-4,6-8,14H2,1-2H3
InChIKeyCFBOJTIXQRYHAJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.16
Rot. Bonds4

About methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate

methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate (PubChem CID 62063570) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
PubChem CID62063570
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namemethyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCC(CN)C2)cc1C
InChIInChI=1S/C13H20N2O3/c1-9-5-11(18-12(9)13(16)17-2)8-15-4-3-10(6-14)7-15/h5,10H,3-4,6-8,14H2,1-2H3
InChIKeyCFBOJTIXQRYHAJ-UHFFFAOYSA-N
XLogP1.16
TPSA68.70 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate with MolForge

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Related Compounds

methyl 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methylfuran-2-carboxylate
CID 115314384
methyl 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62355956
methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 71942284
methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 94032684
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
5-[(3-ethylpiperidin-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43621112
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate
CID 47293816
[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
CID 64581199

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate (CID 62063570) is methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2CCC(CN)C2)cc1C.
What is the InChIKey of methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is CFBOJTIXQRYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-11(18-12(9)13(16)17-2)8-15-4-3-10(6-14)7-15/h5,10H,3-4,6-8,14H2,1-2H3.
What are the key properties of methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 62063570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).