5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid

C13H19NO5 — CID 113382102

IUPAC5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCOC(C)CCC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C13H19NO5/c1-8(18-3)4-5-12(15)14-7-10-6-11(13(16)17)9(2)19-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGHFYFFARPSKQDC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.72
Rot. Bonds7

About 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 113382102) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID113382102
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCOC(C)CCC(=O)NCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C13H19NO5/c1-8(18-3)4-5-12(15)14-7-10-6-11(13(16)17)9(2)19-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyGHFYFFARPSKQDC-UHFFFAOYSA-N
XLogP1.72
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid 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

2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226813
2-methyl-5-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226788
5-[[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687185
2-methyl-5-[(3,5,5-trimethylhexanoylamino)methyl]furan-3-carboxylic acid
CID 61023413
2-methyl-5-[[3-(2-methylphenyl)propanoylamino]methyl]furan-3-carboxylic acid
CID 119226401
2-methyl-5-[[4-(4-methylphenyl)butanoylamino]methyl]furan-3-carboxylic acid
CID 119226205
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 65048515
5-[[3-(2,4-dimethylphenoxy)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226434
5-[[(2-butoxyacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226536
5-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226452
5-[[[2-(3-methoxy-4-methylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226664

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 113382102) is 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid is COC(C)CCC(=O)NCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is GHFYFFARPSKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-8(18-3)4-5-12(15)14-7-10-6-11(13(16)17)9(2)19-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxypentanoylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 113382102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).