2-(furan-3-yl)propanoic acid

C7H8O3 — CID 18421231

IUPAC2-(furan-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccoc1
InChIInChI=1S/C7H8O3/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKeySQMPTIRFFDGNBW-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.47
Rot. Bonds2

About 2-(furan-3-yl)propanoic acid

2-(furan-3-yl)propanoic acid (PubChem CID 18421231) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(furan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(furan-3-yl)propanoic acid
PubChem CID18421231
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-(furan-3-yl)propanoic acid
SMILESCC(C(=O)O)c1ccoc1
InChIInChI=1S/C7H8O3/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKeySQMPTIRFFDGNBW-UHFFFAOYSA-N
XLogP1.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Centipedic acid
CID 5466638
Ethyl 3-(furan-3-yl)-3-oxopropanoate
CID 336409
2-(Furan-3-yl)acetic acid
CID 818896
3-(Furan-3-yl)propanoic acid
CID 13310353
3-(Furan-3-yl)propan-1-ol
CID 13521238
2-(Furan-3-yl)ethan-1-ol
CID 642100
Methyl (furan-3-yl)acetate
CID 12327271
Methyl 3-(furan-3-yl)-3-hydroxypropanoate
CID 10103574
(5Z)-3-(3-furyl)-4-methyl-5-(2-methylpropylidene)furan-2-one
CID 156014465
9-(Furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
CID 368919
[(2S,3Z)-1-(furan-3-yl)-4,8-dimethylnona-3,7-dien-2-yl] acetate
CID 163190316
3-Furanacetaldehyde
CID 11829386

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)propanoic acid?
The IUPAC name of 2-(furan-3-yl)propanoic acid (CID 18421231) is 2-(furan-3-yl)propanoic acid.
What is the SMILES notation for 2-(furan-3-yl)propanoic acid?
The canonical SMILES for 2-(furan-3-yl)propanoic acid is CC(C(=O)O)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)propanoic acid?
The InChIKey is SQMPTIRFFDGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9).
What are the key properties of 2-(furan-3-yl)propanoic acid?
2-(furan-3-yl)propanoic acid has a molecular weight of 140.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)propanoic acid is sourced from PubChem (CID 18421231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).