(2R)-2-(furan-2-yl)butanedioic acid

C8H8O5 — CID 919498

IUPAC(2R)-2-(furan-2-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)c1ccco1
InChIInChI=1S/C8H8O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h1-3,5H,4H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyKVPVQYAXHHBVBF-RXMQYKEDSA-N
MW184.15 g/mol
LogP0.92
Rot. Bonds4

About (2R)-2-(furan-2-yl)butanedioic acid

(2R)-2-(furan-2-yl)butanedioic acid (PubChem CID 919498) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)butanedioic acid
PubChem CID919498
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(2R)-2-(furan-2-yl)butanedioic acid
SMILESO=C(O)C[C@@H](C(=O)O)c1ccco1
InChIInChI=1S/C8H8O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h1-3,5H,4H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKeyKVPVQYAXHHBVBF-RXMQYKEDSA-N
XLogP0.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
(3S)-4,4,4-trifluoro-3-(furan-2-yl)butanoic acid
CID 129375360
2-(furan-2-yl)propanedioic acid
CID 19790856
2-phenylbutanedioic acid
CID 161009404
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 117240874
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
CID 2235057
[4-(1,2-dicarboxyethyl)phenyl]-oxoazanium hydroxide
CID 160665697

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)butanedioic acid?
The IUPAC name of (2R)-2-(furan-2-yl)butanedioic acid (CID 919498) is (2R)-2-(furan-2-yl)butanedioic acid.
What is the SMILES notation for (2R)-2-(furan-2-yl)butanedioic acid?
The canonical SMILES for (2R)-2-(furan-2-yl)butanedioic acid is O=C(O)C[C@@H](C(=O)O)c1ccco1.
What is the InChIKey of (2R)-2-(furan-2-yl)butanedioic acid?
The InChIKey is KVPVQYAXHHBVBF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h1-3,5H,4H2,(H,9,10)(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)butanedioic acid?
(2R)-2-(furan-2-yl)butanedioic acid has a molecular weight of 184.15 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)butanedioic acid is sourced from PubChem (CID 919498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).