1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid

C12H15NO5 — CID 112568220

IUPAC1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(Cc2ccco2)CC1C(=O)O
InChIInChI=1S/C12H15NO5/c14-11(15)9-3-4-13(7-10(9)12(16)17)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyIILXEGZIQNQFCS-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.89
Rot. Bonds4

About 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid

1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568220) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568220
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(Cc2ccco2)CC1C(=O)O
InChIInChI=1S/C12H15NO5/c14-11(15)9-3-4-13(7-10(9)12(16)17)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7H2,(H,14,15)(H,16,17)
InChIKeyIILXEGZIQNQFCS-UHFFFAOYSA-N
XLogP0.89
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
(3S,4S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 70736683
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
1-[(2-bromo-3-fluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918814

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid (CID 112568220) is 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(Cc2ccco2)CC1C(=O)O.
What is the InChIKey of 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is IILXEGZIQNQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-11(15)9-3-4-13(7-10(9)12(16)17)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid?
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).