2-(2-hydroxy-3H-furan-2-yl)acetic acid

C6H8O4 — CID 141431436

IUPAC2-(2-hydroxy-3H-furan-2-yl)acetic acid
SMILESO=C(O)CC1(O)CC=CO1
InChIInChI=1S/C6H8O4/c7-5(8)4-6(9)2-1-3-10-6/h1,3,9H,2,4H2,(H,7,8)
InChIKeyAHWAHVBIMSNINH-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.08
Rot. Bonds2

About 2-(2-hydroxy-3H-furan-2-yl)acetic acid

2-(2-hydroxy-3H-furan-2-yl)acetic acid (PubChem CID 141431436) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(2-hydroxy-3H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3H-furan-2-yl)acetic acid
PubChem CID141431436
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-(2-hydroxy-3H-furan-2-yl)acetic acid
SMILESO=C(O)CC1(O)CC=CO1
InChIInChI=1S/C6H8O4/c7-5(8)4-6(9)2-1-3-10-6/h1,3,9H,2,4H2,(H,7,8)
InChIKeyAHWAHVBIMSNINH-UHFFFAOYSA-N
XLogP0.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetamido-3H-furan-2-yl)acetic acid
CID 67602325
2-(1,3-dihydroxycyclohexa-2,4-dien-1-yl)acetic acid
CID 154019700
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66037412
2-butyl-3H-furan-2-carboxylic acid
CID 70502273
2-(2-amino-3H-thiophen-2-yl)acetic acid
CID 21331019
2-phenyl-3H-furan-2-carboxylic acid
CID 151281654
2-[1-(carboxymethyl)-5-methylcyclohex-3-en-1-yl]acetic acid
CID 21482418
2-methoxycarbonyl-3H-furan-2-carboxylic acid
CID 141135172
2,2-bis(trifluoromethyl)-3H-furan
CID 59259642
2-(2-methyloxiran-2-yl)acetic acid
CID 87261352
3H-furan-2,2-dicarbaldehyde
CID 175668219
2-(3-hydroxythietan-3-yl)acetic acid
CID 82594638

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3H-furan-2-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-3H-furan-2-yl)acetic acid (CID 141431436) is 2-(2-hydroxy-3H-furan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-3H-furan-2-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-3H-furan-2-yl)acetic acid is O=C(O)CC1(O)CC=CO1.
What is the InChIKey of 2-(2-hydroxy-3H-furan-2-yl)acetic acid?
The InChIKey is AHWAHVBIMSNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-5(8)4-6(9)2-1-3-10-6/h1,3,9H,2,4H2,(H,7,8).
What are the key properties of 2-(2-hydroxy-3H-furan-2-yl)acetic acid?
2-(2-hydroxy-3H-furan-2-yl)acetic acid has a molecular weight of 144.13 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3H-furan-2-yl)acetic acid is sourced from PubChem (CID 141431436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).