2-(furan-2-yl)-2-methoxypropanoic acid

C8H10O4 — CID 83827168

IUPAC2-(furan-2-yl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1ccco1
InChIInChI=1S/C8H10O4/c1-8(11-2,7(9)10)6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10)
InChIKeyYYTIZVXYGDKRON-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.23
Rot. Bonds3

About 2-(furan-2-yl)-2-methoxypropanoic acid

2-(furan-2-yl)-2-methoxypropanoic acid (PubChem CID 83827168) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-methoxypropanoic acid
PubChem CID83827168
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-(furan-2-yl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1ccco1
InChIInChI=1S/C8H10O4/c1-8(11-2,7(9)10)6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10)
InChIKeyYYTIZVXYGDKRON-UHFFFAOYSA-N
XLogP1.23
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617
2-fluoro-2-(furan-2-yl)propanedioic acid
CID 139618699
2-cyclopropyl-2-(furan-2-yl)propanoic acid
CID 83828151
2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392
2-(furan-2-yl)-2-(methoxyamino)propanamide
CID 142650613
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-(furan-2-yl)propan-2-yl 3-methylbutanoate
CID 58845611
2-(but-2-ynylcarbamoylamino)-2-(furan-2-yl)propanoic acid
CID 62310733
2-(furan-2-yl)-4-methoxybutan-2-ol
CID 63949969
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
CID 66098609

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-methoxypropanoic acid?
The IUPAC name of 2-(furan-2-yl)-2-methoxypropanoic acid (CID 83827168) is 2-(furan-2-yl)-2-methoxypropanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-methoxypropanoic acid?
The canonical SMILES for 2-(furan-2-yl)-2-methoxypropanoic acid is COC(C)(C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-methoxypropanoic acid?
The InChIKey is YYTIZVXYGDKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-8(11-2,7(9)10)6-4-3-5-12-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2-(furan-2-yl)-2-methoxypropanoic acid?
2-(furan-2-yl)-2-methoxypropanoic acid has a molecular weight of 170.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-methoxypropanoic acid is sourced from PubChem (CID 83827168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).