2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid

C14H19NO4 — CID 114217804

IUPAC2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
SMILESCC1CCCN(C(=O)c2ccoc2CC(=O)O)C1C
InChIInChI=1S/C14H19NO4/c1-9-4-3-6-15(10(9)2)14(18)11-5-7-19-12(11)8-13(16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyCZFKKWOSMGHWGO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.17
Rot. Bonds3

About 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid

2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid (PubChem CID 114217804) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
PubChem CID114217804
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
SMILESCC1CCCN(C(=O)c2ccoc2CC(=O)O)C1C
InChIInChI=1S/C14H19NO4/c1-9-4-3-6-15(10(9)2)14(18)11-5-7-19-12(11)8-13(16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyCZFKKWOSMGHWGO-UHFFFAOYSA-N
XLogP2.17
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The IUPAC name of 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid (CID 114217804) is 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid is CC1CCCN(C(=O)c2ccoc2CC(=O)O)C1C.
What is the InChIKey of 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
The InChIKey is CZFKKWOSMGHWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-3-6-15(10(9)2)14(18)11-5-7-19-12(11)8-13(16)17/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid?
2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid is sourced from PubChem (CID 114217804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).