2-(furan-2-yl)-2-piperazin-1-ylacetic acid

C10H14N2O3 — CID 82077936

IUPAC2-(furan-2-yl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccco1)N1CCNCC1
InChIInChI=1S/C10H14N2O3/c13-10(14)9(8-2-1-7-15-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6H2,(H,13,14)
InChIKeyWZHQWKSUSREFRP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.31
Rot. Bonds3

About 2-(furan-2-yl)-2-piperazin-1-ylacetic acid

2-(furan-2-yl)-2-piperazin-1-ylacetic acid (PubChem CID 82077936) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-piperazin-1-ylacetic acid
PubChem CID82077936
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(furan-2-yl)-2-piperazin-1-ylacetic acid
SMILESO=C(O)C(c1ccco1)N1CCNCC1
InChIInChI=1S/C10H14N2O3/c13-10(14)9(8-2-1-7-15-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6H2,(H,13,14)
InChIKeyWZHQWKSUSREFRP-UHFFFAOYSA-N
XLogP0.31
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 83823188
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 117240874
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
1-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]piperazine
CID 131475959
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
2-phenyl-2-piperazin-1-ylacetyl fluoride
CID 90420857
2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-piperazin-1-ylacetic acid?
The IUPAC name of 2-(furan-2-yl)-2-piperazin-1-ylacetic acid (CID 82077936) is 2-(furan-2-yl)-2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-piperazin-1-ylacetic acid?
The canonical SMILES for 2-(furan-2-yl)-2-piperazin-1-ylacetic acid is O=C(O)C(c1ccco1)N1CCNCC1.
What is the InChIKey of 2-(furan-2-yl)-2-piperazin-1-ylacetic acid?
The InChIKey is WZHQWKSUSREFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)9(8-2-1-7-15-8)12-5-3-11-4-6-12/h1-2,7,9,11H,3-6H2,(H,13,14).
What are the key properties of 2-(furan-2-yl)-2-piperazin-1-ylacetic acid?
2-(furan-2-yl)-2-piperazin-1-ylacetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-piperazin-1-ylacetic acid is sourced from PubChem (CID 82077936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).