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

C12H17NO3 — CID 62267288

IUPAC5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)C1CCCC1
InChIInChI=1S/C12H17NO3/c1-13(10-4-2-3-5-10)7-11-6-9(8-16-11)12(14)15/h6,8,10H,2-5,7H2,1H3,(H,14,15)
InChIKeyOJYDJOAAPYSPCA-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.35
Rot. Bonds4

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

5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 62267288) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
PubChem CID62267288
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)C1CCCC1
InChIInChI=1S/C12H17NO3/c1-13(10-4-2-3-5-10)7-11-6-9(8-16-11)12(14)15/h6,8,10H,2-5,7H2,1H3,(H,14,15)
InChIKeyOJYDJOAAPYSPCA-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
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-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-(cyclohexyloxymethyl)furan-3-carboxylic acid
CID 62267257
N-[(4-bromofuran-2-yl)methyl]-N-methylcyclopropanamine
CID 131089541
3-chloro-4-[[cyclobutyl(methyl)amino]methyl]benzoic acid
CID 102670029
5-[[ethyl(propan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 62267286
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
CID 55053760
benzoic acid;N,N-dimethylcyclohexanamine
CID 173305474

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid (CID 62267288) is 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid is CN(Cc1cc(C(=O)O)co1)C1CCCC1.
What is the InChIKey of 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is OJYDJOAAPYSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(10-4-2-3-5-10)7-11-6-9(8-16-11)12(14)15/h6,8,10H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid?
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62267288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).