methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate

C15H23NO4 — CID 115358697

IUPACmethyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2(CO)CCCC2)oc1C
InChIInChI=1S/C15H23NO4/c1-11-13(14(18)19-2)7-12(20-11)8-16-9-15(10-17)5-3-4-6-15/h7,16-17H,3-6,8-10H2,1-2H3
InChIKeyWRPVCRFXULAWQF-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.02
Rot. Bonds6

About methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 115358697) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID115358697
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2(CO)CCCC2)oc1C
InChIInChI=1S/C15H23NO4/c1-11-13(14(18)19-2)7-12(20-11)8-16-9-15(10-17)5-3-4-6-15/h7,16-17H,3-6,8-10H2,1-2H3
InChIKeyWRPVCRFXULAWQF-UHFFFAOYSA-N
XLogP2.02
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-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 2-methyl-5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-3-carboxylate
CID 80725751
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855
methyl 5-[[[ethylamino-[(1-ethylcyclobutyl)methylamino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 109469785
methyl 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 113472111
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 103923336
methyl 5-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 109477371
methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 107424626
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
CID 54932235

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate (CID 115358697) is methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CNCC2(CO)CCCC2)oc1C.
What is the InChIKey of methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is WRPVCRFXULAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-13(14(18)19-2)7-12(20-11)8-16-9-15(10-17)5-3-4-6-15/h7,16-17H,3-6,8-10H2,1-2H3.
What are the key properties of methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 115358697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).