2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid

C13H19NO3 — CID 54899724

IUPAC2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1ccc(CN2CCCCC2CC(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-10-5-6-12(17-10)9-14-7-3-2-4-11(14)8-13(15)16/h5-6,11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyLPKUKFJZUXUYAF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid

2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 54899724) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID54899724
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1ccc(CN2CCCCC2CC(=O)O)o1
InChIInChI=1S/C13H19NO3/c1-10-5-6-12(17-10)9-14-7-3-2-4-11(14)8-13(15)16/h5-6,11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyLPKUKFJZUXUYAF-UHFFFAOYSA-N
XLogP2.42
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
2-[4-[(5-methylfuran-2-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80519616
1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 115883125
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
2-[1-[(4,5-dibromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067715
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-methyl-1-[(5-methylfuran-2-yl)methyl]pyrrolidine
CID 130718603
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
CID 110284244

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid (CID 54899724) is 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid is Cc1ccc(CN2CCCCC2CC(=O)O)o1.
What is the InChIKey of 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is LPKUKFJZUXUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-6-12(17-10)9-14-7-3-2-4-11(14)8-13(15)16/h5-6,11H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).