5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C14H19NO4 — CID 54907246

IUPAC5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)CC2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-12(14(17)18)7-11(19-9)8-15-13(16)6-10-4-2-3-5-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOTQKUITWRPLPSF-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.48
Rot. Bonds5

About 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 54907246) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID54907246
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)CC2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-12(14(17)18)7-11(19-9)8-15-13(16)6-10-4-2-3-5-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyOTQKUITWRPLPSF-UHFFFAOYSA-N
XLogP2.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226239
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103244476
2-methyl-5-[[3-[(2R,5S)-5-methyloxolan-2-yl]propanoylamino]methyl]furan-3-carboxylic acid
CID 125148333
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 54907246) is 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)CC2CCCC2)cc1C(=O)O.
What is the InChIKey of 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is OTQKUITWRPLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-12(14(17)18)7-11(19-9)8-15-13(16)6-10-4-2-3-5-10/h7,10H,2-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 54907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).