5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid

C13H16O5 — CID 106946697

IUPAC5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)CCC2CCCCO2)o1
InChIInChI=1S/C13H16O5/c14-10(5-4-9-3-1-2-8-17-9)11-6-7-12(18-11)13(15)16/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyAMTVFRPOMMJNGQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.51
Rot. Bonds5

About 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid

5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid (PubChem CID 106946697) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
PubChem CID106946697
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)CCC2CCCCO2)o1
InChIInChI=1S/C13H16O5/c14-10(5-4-9-3-1-2-8-17-9)11-6-7-12(18-11)13(15)16/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyAMTVFRPOMMJNGQ-UHFFFAOYSA-N
XLogP2.51
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(oxan-2-yl)propanoyl]furan-2-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

3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
CID 62206731
1-[4-(2-methylpropyl)phenyl]-3-(oxan-2-yl)propan-1-one
CID 63952520
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
CID 106947334
3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
1-[5-(aminomethyl)furan-2-yl]-4-(oxolan-2-yl)butan-1-one
CID 116590164
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid (CID 106946697) is 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)CCC2CCCCO2)o1.
What is the InChIKey of 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid?
The InChIKey is AMTVFRPOMMJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c14-10(5-4-9-3-1-2-8-17-9)11-6-7-12(18-11)13(15)16/h6-7,9H,1-5,8H2,(H,15,16).
What are the key properties of 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid?
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106946697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).