5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid

C13H19NO3 — CID 63631786

IUPAC5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)CC1CCCC1
InChIInChI=1S/C13H19NO3/c1-14(7-10-4-2-3-5-10)8-12-6-11(9-17-12)13(15)16/h6,9-10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyFCYNRKDUHHVFFV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.60
Rot. Bonds5

About 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid

5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 63631786) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
PubChem CID63631786
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)CC1CCCC1
InChIInChI=1S/C13H19NO3/c1-14(7-10-4-2-3-5-10)8-12-6-11(9-17-12)13(15)16/h6,9-10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyFCYNRKDUHHVFFV-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[cyclopropyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 62267649
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
5-(cyclohexyloxymethyl)furan-3-carboxylic acid
CID 62267257
3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 63236410
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid (CID 63631786) is 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid is CN(Cc1cc(C(=O)O)co1)CC1CCCC1.
What is the InChIKey of 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is FCYNRKDUHHVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(7-10-4-2-3-5-10)8-12-6-11(9-17-12)13(15)16/h6,9-10H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid?
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 63631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).