3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid

C15H21NO4 — CID 129367512

IUPAC3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)o1
InChIInChI=1S/C15H21NO4/c1-2-12-7-8-13(20-12)15(19)16-10-4-3-5-11(16)6-9-14(17)18/h7-8,11H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyXCEPCDWXHNUXKQ-LLVKDONJSA-N
MW279.34 g/mol
LogP2.70
Rot. Bonds5

About 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid

3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 129367512) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID129367512
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)o1
InChIInChI=1S/C15H21NO4/c1-2-12-7-8-13(20-12)15(19)16-10-4-3-5-11(16)6-9-14(17)18/h7-8,11H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyXCEPCDWXHNUXKQ-LLVKDONJSA-N
XLogP2.70
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 94373903
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
(5-ethylfuran-2-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111472230
3-[1-(5-bromo-7-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120689675
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid (CID 129367512) is 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid is CCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)o1.
What is the InChIKey of 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is XCEPCDWXHNUXKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-12-7-8-13(20-12)15(19)16-10-4-3-5-11(16)6-9-14(17)18/h7-8,11H,2-6,9-10H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 129367512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).