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

C11H16N2O3 — CID 83823188

IUPAC3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccco1)N1CCNCC1
InChIInChI=1S/C11H16N2O3/c14-11(15)8-9(10-2-1-7-16-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15)
InChIKeyDDPBGTQTGZFODC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.70
Rot. Bonds4

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

3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid (PubChem CID 83823188) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
PubChem CID83823188
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
SMILESO=C(O)CC(c1ccco1)N1CCNCC1
InChIInChI=1S/C11H16N2O3/c14-11(15)8-9(10-2-1-7-16-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15)
InChIKeyDDPBGTQTGZFODC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 82129783
2-(furan-2-yl)-2-piperazin-1-ylacetic acid
CID 82077936
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 117240874
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
CID 131475959
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
(3R)-3-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-3-(furan-2-yl)propanoic acid
CID 124780926
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
CID 66174492
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The IUPAC name of 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid (CID 83823188) is 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The canonical SMILES for 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid is O=C(O)CC(c1ccco1)N1CCNCC1.
What is the InChIKey of 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
The InChIKey is DDPBGTQTGZFODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-11(15)8-9(10-2-1-7-16-10)13-5-3-12-4-6-13/h1-2,7,9,12H,3-6,8H2,(H,14,15).
What are the key properties of 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid?
3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid is sourced from PubChem (CID 83823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).