5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C15H21NO5 — CID 119221920

IUPAC5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)COC2CCCC2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-10-13(15(18)19)7-12(21-10)8-16(2)14(17)9-20-11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyJWIGOSXJOQOSKA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.20
Rot. Bonds6

About 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119221920) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119221920
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)COC2CCCC2)cc1C(=O)O
InChIInChI=1S/C15H21NO5/c1-10-13(15(18)19)7-12(21-10)8-16(2)14(17)9-20-11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3,(H,18,19)
InChIKeyJWIGOSXJOQOSKA-UHFFFAOYSA-N
XLogP2.20
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
5-[[3-cyclohexylpropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222584
5-[[4-ethoxybutanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222513
5-[[[2-(1-methoxycyclobutyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687007
2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125151720
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
5-[[3-(2-methoxyethoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222528
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
2-methyl-5-[[methyl-[3-[(2R,5S)-5-methyloxolan-2-yl]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125132347
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61218614
2-methyl-5-[[methyl-[2-(2-methylphenyl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119222717

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119221920) is 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)COC2CCCC2)cc1C(=O)O.
What is the InChIKey of 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is JWIGOSXJOQOSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10-13(15(18)19)7-12(21-10)8-16(2)14(17)9-20-11-5-3-4-6-11/h7,11H,3-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).