1-ethylpiperazine-2-carboxylic acid

C7H14N2O2 — CID 52911181

IUPAC1-ethylpiperazine-2-carboxylic acid
SMILESCCN1CCNCC1C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKBGVGPASFNVZTE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.64
Rot. Bonds2

About 1-ethylpiperazine-2-carboxylic acid

1-ethylpiperazine-2-carboxylic acid (PubChem CID 52911181) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-ethylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethylpiperazine-2-carboxylic acid
PubChem CID52911181
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-ethylpiperazine-2-carboxylic acid
SMILESCCN1CCNCC1C(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyKBGVGPASFNVZTE-UHFFFAOYSA-N
XLogP-0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazine-2-carboxylic acid?
The IUPAC name of 1-ethylpiperazine-2-carboxylic acid (CID 52911181) is 1-ethylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-ethylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-ethylpiperazine-2-carboxylic acid is CCN1CCNCC1C(=O)O.
What is the InChIKey of 1-ethylpiperazine-2-carboxylic acid?
The InChIKey is KBGVGPASFNVZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-9-4-3-8-5-6(9)7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-ethylpiperazine-2-carboxylic acid?
1-ethylpiperazine-2-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazine-2-carboxylic acid is sourced from PubChem (CID 52911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).