5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid

C10H10O7 — CID 165389443

IUPAC5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
SMILESCC(C(=O)O)C(=O)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10O7/c1-5(8(11)12)10(15)16-4-6-2-3-7(17-6)9(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyZUAGACWOGYDOIG-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.74
Rot. Bonds5

About 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid

5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid (PubChem CID 165389443) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
PubChem CID165389443
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid
SMILESCC(C(=O)O)C(=O)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10O7/c1-5(8(11)12)10(15)16-4-6-2-3-7(17-6)9(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyZUAGACWOGYDOIG-UHFFFAOYSA-N
XLogP0.74
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(3-methylbutoxymethyl)furan-2-carboxylic acid
CID 4739201
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-carboxylic acid
CID 66275403
5-(acetyloxymethyl)furan-2-carboxylic acid;N,N-diethylethanamine;5-(hydroxymethyl)furan-2-carboxylic acid
CID 158449664
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
CID 43126906
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-carboxylic acid
CID 112586962
5-(tetradecoxymethyl)furan-2-carboxylic acid
CID 22152429
5-(fluoromethyl)furan-2-carboxylic acid
CID 18507676
5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
CID 102696456
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid (CID 165389443) is 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid is CC(C(=O)O)C(=O)OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid?
The InChIKey is ZUAGACWOGYDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c1-5(8(11)12)10(15)16-4-6-2-3-7(17-6)9(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid?
5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid has a molecular weight of 242.18 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxypropanoyloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 165389443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).