2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid

C12H14O7 — CID 118899808

IUPAC2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid
SMILESO=C(O)CCC(Cc1ccc(CC(=O)O)o1)C(=O)O
InChIInChI=1S/C12H14O7/c13-10(14)4-1-7(12(17)18)5-8-2-3-9(19-8)6-11(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyPMPDTSLATNJWTE-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.01
Rot. Bonds8

About 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid

2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid (PubChem CID 118899808) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid.

Molecular Properties

Compound Name2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid
PubChem CID118899808
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid
SMILESO=C(O)CCC(Cc1ccc(CC(=O)O)o1)C(=O)O
InChIInChI=1S/C12H14O7/c13-10(14)4-1-7(12(17)18)5-8-2-3-9(19-8)6-11(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyPMPDTSLATNJWTE-UHFFFAOYSA-N
XLogP1.01
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic 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-[(5-carboxyfuran-2-yl)methyl]butanedioic acid
CID 118899746
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
4-amino-5-(5-bromofuran-2-yl)pentanoic acid
CID 62961515
2-[2-[5-(3,4-dicarboxybutyl)furan-2-yl]ethyl]butanedioic acid
CID 118899413
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845
2-[[4-(diethylamino)phenyl]methyl]pentanedioic acid
CID 142115464
butanedioic acid;2-(hydroxymethyl)pentanedioic acid
CID 87135805
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
2-cyclopenta[b]pyran-2-ylacetic acid
CID 57367990
2-[3-[4-(4,6-dicarboxyhexyl)naphthalen-1-yl]propyl]pentanedioic acid;2-[3-[4-(4,5-dicarboxypentyl)naphthalen-1-yl]propyl]butanedioic acid;2-[[4-(2,3-dicarboxypropyl)naphthalen-1-yl]methyl]butanedioic acid
CID 159999367
4-benzoyl-2-ethylheptanedioic acid
CID 175038152
2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphanyl]methyl]pentanedioic acid
CID 139457437

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid?
The IUPAC name of 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid (CID 118899808) is 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid.
What is the SMILES notation for 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid?
The canonical SMILES for 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid is O=C(O)CCC(Cc1ccc(CC(=O)O)o1)C(=O)O.
What is the InChIKey of 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid?
The InChIKey is PMPDTSLATNJWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7/c13-10(14)4-1-7(12(17)18)5-8-2-3-9(19-8)6-11(15)16/h2-3,7H,1,4-6H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid?
2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid has a molecular weight of 270.24 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(carboxymethyl)furan-2-yl]methyl]pentanedioic acid is sourced from PubChem (CID 118899808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).