3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid

C14H21NO3 — CID 62218058

IUPAC3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17)
InChIKeyWEUMFRAIYRAMQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds5

About 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 62218058) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
PubChem CID62218058
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCc1ccc(CN2CCC(CCC(=O)O)CC2)o1
InChIInChI=1S/C14H21NO3/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17)
InChIKeyWEUMFRAIYRAMQU-UHFFFAOYSA-N
XLogP2.66
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(5-nitrofuran-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 62218057
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
3-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216017
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25283958
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]propanamide
CID 70737130
4-methyl-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 55179307
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
1-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylpiperidine
CID 121183067
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
3-[1-[3-(5-methylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]propanoic acid
CID 76937489

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid (CID 62218058) is 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid is Cc1ccc(CN2CCC(CCC(=O)O)CC2)o1.
What is the InChIKey of 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is WEUMFRAIYRAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-2-4-13(18-11)10-15-8-6-12(7-9-15)3-5-14(16)17/h2,4,12H,3,5-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62218058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).