2-cyclopropyl-2-(furan-2-yl)propanoic acid

C10H12O3 — CID 83828151

IUPAC2-cyclopropyl-2-(furan-2-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccco1)C1CC1
InChIInChI=1S/C10H12O3/c1-10(9(11)12,7-4-5-7)8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyIKKICXVPJAKUAH-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.03
Rot. Bonds3

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

2-cyclopropyl-2-(furan-2-yl)propanoic acid (PubChem CID 83828151) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-cyclopropyl-2-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(furan-2-yl)propanoic acid
PubChem CID83828151
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-cyclopropyl-2-(furan-2-yl)propanoic acid
SMILESCC(C(=O)O)(c1ccco1)C1CC1
InChIInChI=1S/C10H12O3/c1-10(9(11)12,7-4-5-7)8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChIKeyIKKICXVPJAKUAH-UHFFFAOYSA-N
XLogP2.03
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(furan-2-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(furan-2-yl)propanoic acid (CID 83828151) is 2-cyclopropyl-2-(furan-2-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(furan-2-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(furan-2-yl)propanoic acid is CC(C(=O)O)(c1ccco1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(furan-2-yl)propanoic acid?
The InChIKey is IKKICXVPJAKUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(9(11)12,7-4-5-7)8-3-2-6-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-cyclopropyl-2-(furan-2-yl)propanoic acid?
2-cyclopropyl-2-(furan-2-yl)propanoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(furan-2-yl)propanoic acid is sourced from PubChem (CID 83828151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).