(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid

C13H17NO4 — CID 75499800

IUPAC(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)o1
InChIInChI=1S/C13H17NO4/c1-8-7-9(2)18-11(8)12(15)14-6-4-3-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyPOEPMACXGKZYPX-SNVBAGLBSA-N
MW251.28 g/mol
LogP1.98
Rot. Bonds2

About (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 75499800) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID75499800
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)o1
InChIInChI=1S/C13H17NO4/c1-8-7-9(2)18-11(8)12(15)14-6-4-3-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyPOEPMACXGKZYPX-SNVBAGLBSA-N
XLogP1.98
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid (CID 75499800) is (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid is Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C(=O)O)o1.
What is the InChIKey of (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is POEPMACXGKZYPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8-7-9(2)18-11(8)12(15)14-6-4-3-5-10(14)13(16)17/h7,10H,3-6H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylfuran-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 75499800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).