2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid

C11H16N2O3 — CID 117240874

IUPAC2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
SMILESO=C(O)C(CN1CCNCC1)c1ccco1
InChIInChI=1S/C11H16N2O3/c14-11(15)9(10-2-1-7-16-10)8-13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15)
InChIKeyIXWZODRMUQKATI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.35
Rot. Bonds4

About 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid

2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid (PubChem CID 117240874) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
PubChem CID117240874
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
SMILESO=C(O)C(CN1CCNCC1)c1ccco1
InChIInChI=1S/C11H16N2O3/c14-11(15)9(10-2-1-7-16-10)8-13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15)
InChIKeyIXWZODRMUQKATI-UHFFFAOYSA-N
XLogP0.35
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-2-piperazin-1-ylacetic acid
CID 82077936
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 117244247
3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 83823188
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
2-(furan-2-yl)-3-sulfanylpropanoic acid
CID 117241167
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
methyl 2-(furan-2-carbonylamino)-3-piperazin-1-ylpropanoate
CID 126615777
2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The IUPAC name of 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid (CID 117240874) is 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The canonical SMILES for 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid is O=C(O)C(CN1CCNCC1)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The InChIKey is IXWZODRMUQKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-11(15)9(10-2-1-7-16-10)8-13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15).
What are the key properties of 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 117240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).