5-(furan-2-yl)-2-methylpentanoic acid

C10H14O3 — CID 82075109

IUPAC5-(furan-2-yl)-2-methylpentanoic acid
SMILESCC(CCCc1ccco1)C(=O)O
InChIInChI=1S/C10H14O3/c1-8(10(11)12)4-2-5-9-6-3-7-13-9/h3,6-8H,2,4-5H2,1H3,(H,11,12)
InChIKeyYBRNAHBXBRHHQH-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.32
Rot. Bonds5

About 5-(furan-2-yl)-2-methylpentanoic acid

5-(furan-2-yl)-2-methylpentanoic acid (PubChem CID 82075109) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methylpentanoic acid
PubChem CID82075109
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-(furan-2-yl)-2-methylpentanoic acid
SMILESCC(CCCc1ccco1)C(=O)O
InChIInChI=1S/C10H14O3/c1-8(10(11)12)4-2-5-9-6-3-7-13-9/h3,6-8H,2,4-5H2,1H3,(H,11,12)
InChIKeyYBRNAHBXBRHHQH-UHFFFAOYSA-N
XLogP2.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methylpentanoic acid?
The IUPAC name of 5-(furan-2-yl)-2-methylpentanoic acid (CID 82075109) is 5-(furan-2-yl)-2-methylpentanoic acid.
What is the SMILES notation for 5-(furan-2-yl)-2-methylpentanoic acid?
The canonical SMILES for 5-(furan-2-yl)-2-methylpentanoic acid is CC(CCCc1ccco1)C(=O)O.
What is the InChIKey of 5-(furan-2-yl)-2-methylpentanoic acid?
The InChIKey is YBRNAHBXBRHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(10(11)12)4-2-5-9-6-3-7-13-9/h3,6-8H,2,4-5H2,1H3,(H,11,12).
What are the key properties of 5-(furan-2-yl)-2-methylpentanoic acid?
5-(furan-2-yl)-2-methylpentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methylpentanoic acid is sourced from PubChem (CID 82075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).