2-(2-methylpropyl)furan;propanoic acid

C11H18O3 — CID 158583493

IUPAC2-(2-methylpropyl)furan;propanoic acid
SMILESCC(C)Cc1ccco1.CCC(=O)O
InChIInChI=1S/C8H12O.C3H6O2/c1-7(2)6-8-4-3-5-9-8;1-2-3(4)5/h3-5,7H,6H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyHTNQINAIVYMYFX-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.96
Rot. Bonds3

About 2-(2-methylpropyl)furan;propanoic acid

2-(2-methylpropyl)furan;propanoic acid (PubChem CID 158583493) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)furan;propanoic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)furan;propanoic acid
PubChem CID158583493
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(2-methylpropyl)furan;propanoic acid
SMILESCC(C)Cc1ccco1.CCC(=O)O
InChIInChI=1S/C8H12O.C3H6O2/c1-7(2)6-8-4-3-5-9-8;1-2-3(4)5/h3-5,7H,6H2,1-2H3;2H2,1H3,(H,4,5)
InChIKeyHTNQINAIVYMYFX-UHFFFAOYSA-N
XLogP2.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
3-[ethyl-[1-(furan-2-yl)propan-2-yl]amino]propanoic acid
CID 65062809
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693
2-[1-(furan-2-yl)propan-2-yl-prop-2-enylamino]acetic acid
CID 79285506
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
(3R)-3-(furan-2-ylmethyl)-4-hydroxybutanoic acid
CID 142030961
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
1-(furan-2-yl)propan-2-yl carbamate
CID 67843163

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)furan;propanoic acid?
The IUPAC name of 2-(2-methylpropyl)furan;propanoic acid (CID 158583493) is 2-(2-methylpropyl)furan;propanoic acid.
What is the SMILES notation for 2-(2-methylpropyl)furan;propanoic acid?
The canonical SMILES for 2-(2-methylpropyl)furan;propanoic acid is CC(C)Cc1ccco1.CCC(=O)O.
What is the InChIKey of 2-(2-methylpropyl)furan;propanoic acid?
The InChIKey is HTNQINAIVYMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C3H6O2/c1-7(2)6-8-4-3-5-9-8;1-2-3(4)5/h3-5,7H,6H2,1-2H3;2H2,1H3,(H,4,5).
What are the key properties of 2-(2-methylpropyl)furan;propanoic acid?
2-(2-methylpropyl)furan;propanoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)furan;propanoic acid is sourced from PubChem (CID 158583493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).