2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid

C10H12O5 — CID 12789057

IUPAC2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
SMILESCCOC(=O)c1cc(CC(=O)O)oc1C
InChIInChI=1S/C10H12O5/c1-3-14-10(13)8-4-7(5-9(11)12)15-6(8)2/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyDODSJCGDYKTOPA-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.39
Rot. Bonds4

About 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid

2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid (PubChem CID 12789057) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
PubChem CID12789057
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid
SMILESCCOC(=O)c1cc(CC(=O)O)oc1C
InChIInChI=1S/C10H12O5/c1-3-14-10(13)8-4-7(5-9(11)12)15-6(8)2/h4H,3,5H2,1-2H3,(H,11,12)
InChIKeyDODSJCGDYKTOPA-UHFFFAOYSA-N
XLogP1.39
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-5-(3-oxo-4-phenylbutyl)furan-3-carboxylate
CID 102312423
2-(4,5-dimethylfuran-2-yl)acetic acid
CID 21260728
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
ethyl 5-[(1S)-1-hydroperoxyethyl]-2-methylfuran-3-carboxylate
CID 10943835
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
ethyl 2-methyl-5-[(1R,2R)-1,2,3-trihydroxypropyl]furan-3-carboxylate
CID 11288010
propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
CID 139747350
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
CID 91882242
5-[(2-ethoxy-2-oxoethyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43618208
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
2-(4-ethoxycarbonyl-3-hydroxyphenyl)acetic acid
CID 21261764
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The IUPAC name of 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid (CID 12789057) is 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The canonical SMILES for 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid is CCOC(=O)c1cc(CC(=O)O)oc1C.
What is the InChIKey of 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The InChIKey is DODSJCGDYKTOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-14-10(13)8-4-7(5-9(11)12)15-6(8)2/h4H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid?
2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycarbonyl-5-methylfuran-2-yl)acetic acid is sourced from PubChem (CID 12789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).