3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid

C16H25NO3 — CID 65062434

IUPAC3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
SMILESCc1cc(C(C)N2CCCCC2CCC(=O)O)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-10-15(13(3)20-11)12(2)17-9-5-4-6-14(17)7-8-16(18)19/h10,12,14H,4-9H2,1-3H3,(H,18,19)
InChIKeyYPZWSSPUVZUOLT-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid

3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid (PubChem CID 65062434) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
PubChem CID65062434
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
SMILESCc1cc(C(C)N2CCCCC2CCC(=O)O)c(C)o1
InChIInChI=1S/C16H25NO3/c1-11-10-15(13(3)20-11)12(2)17-9-5-4-6-14(17)7-8-16(18)19/h10,12,14H,4-9H2,1-3H3,(H,18,19)
InChIKeyYPZWSSPUVZUOLT-UHFFFAOYSA-N
XLogP3.68
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
CID 65062430
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382857
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606610
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
3-[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216303
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95602877
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid (CID 65062434) is 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid is Cc1cc(C(C)N2CCCCC2CCC(=O)O)c(C)o1.
What is the InChIKey of 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid?
The InChIKey is YPZWSSPUVZUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-10-15(13(3)20-11)12(2)17-9-5-4-6-14(17)7-8-16(18)19/h10,12,14H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid?
3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65062434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).