2-(furan-3-ylmethyl)pentanoic acid

C10H14O3 — CID 12573303

IUPAC2-(furan-3-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccoc1)C(=O)O
InChIInChI=1S/C10H14O3/c1-2-3-9(10(11)12)6-8-4-5-13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,12)
InChIKeyKPKLSIVARXIINT-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.32
Rot. Bonds5

About 2-(furan-3-ylmethyl)pentanoic acid

2-(furan-3-ylmethyl)pentanoic acid (PubChem CID 12573303) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)pentanoic acid
PubChem CID12573303
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(furan-3-ylmethyl)pentanoic acid
SMILESCCCC(Cc1ccoc1)C(=O)O
InChIInChI=1S/C10H14O3/c1-2-3-9(10(11)12)6-8-4-5-13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,12)
InChIKeyKPKLSIVARXIINT-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-chlorophenyl)methyl]-3-(furan-3-yl)propanoic acid
CID 83173129
2-(furan-3-ylmethyl)-3-methylbutanoic acid
CID 83173003
1-(furan-3-yl)butan-2-ol
CID 83171486
2-[[4-(diethylaminomethyl)phenyl]methyl]pentanoic acid
CID 84752883
2-(furan-3-ylmethyl)-3-hydroxy-4,4-dimethylpentanoic acid
CID 66735630
1-(furan-3-yl)-3-methylhexan-2-amine
CID 105029905
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
2-(butoxycarbonylamino)-3-(furan-3-yl)propanoic acid
CID 68824494
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
3-benzylhexan-2-one
CID 12816361
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)pentanoic acid?
The IUPAC name of 2-(furan-3-ylmethyl)pentanoic acid (CID 12573303) is 2-(furan-3-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-(furan-3-ylmethyl)pentanoic acid?
The canonical SMILES for 2-(furan-3-ylmethyl)pentanoic acid is CCCC(Cc1ccoc1)C(=O)O.
What is the InChIKey of 2-(furan-3-ylmethyl)pentanoic acid?
The InChIKey is KPKLSIVARXIINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-3-9(10(11)12)6-8-4-5-13-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 2-(furan-3-ylmethyl)pentanoic acid?
2-(furan-3-ylmethyl)pentanoic 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 2-(furan-3-ylmethyl)pentanoic acid is sourced from PubChem (CID 12573303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).