3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid

C10H14N2O3 — CID 116829420

IUPAC3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid
SMILESCc1ccc(C2NCCNC2C(=O)O)o1
InChIInChI=1S/C10H14N2O3/c1-6-2-3-7(15-6)8-9(10(13)14)12-5-4-11-8/h2-3,8-9,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyCFRRFPXTWWINIF-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.28
Rot. Bonds2

About 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid

3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid (PubChem CID 116829420) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid
PubChem CID116829420
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid
SMILESCc1ccc(C2NCCNC2C(=O)O)o1
InChIInChI=1S/C10H14N2O3/c1-6-2-3-7(15-6)8-9(10(13)14)12-5-4-11-8/h2-3,8-9,11-12H,4-5H2,1H3,(H,13,14)
InChIKeyCFRRFPXTWWINIF-UHFFFAOYSA-N
XLogP0.28
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid (CID 116829420) is 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid is Cc1ccc(C2NCCNC2C(=O)O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid?
The InChIKey is CFRRFPXTWWINIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-2-3-7(15-6)8-9(10(13)14)12-5-4-11-8/h2-3,8-9,11-12H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid?
3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 116829420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).