4-acetylpiperazine-2-carboxylic acid

C7H12N2O3 — CID 58761966

IUPAC4-acetylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)9-3-2-8-6(4-9)7(11)12/h6,8H,2-4H2,1H3,(H,11,12)
InChIKeyAYNXPULKEOGGDU-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.11
Rot. Bonds1

About 4-acetylpiperazine-2-carboxylic acid

4-acetylpiperazine-2-carboxylic acid (PubChem CID 58761966) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-acetylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-acetylpiperazine-2-carboxylic acid
PubChem CID58761966
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name4-acetylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCNC(C(=O)O)C1
InChIInChI=1S/C7H12N2O3/c1-5(10)9-3-2-8-6(4-9)7(11)12/h6,8H,2-4H2,1H3,(H,11,12)
InChIKeyAYNXPULKEOGGDU-UHFFFAOYSA-N
XLogP-1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetylpiperazine-2-carboxylic acid?
The IUPAC name of 4-acetylpiperazine-2-carboxylic acid (CID 58761966) is 4-acetylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-acetylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-acetylpiperazine-2-carboxylic acid is CC(=O)N1CCNC(C(=O)O)C1.
What is the InChIKey of 4-acetylpiperazine-2-carboxylic acid?
The InChIKey is AYNXPULKEOGGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-5(10)9-3-2-8-6(4-9)7(11)12/h6,8H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-acetylpiperazine-2-carboxylic acid?
4-acetylpiperazine-2-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpiperazine-2-carboxylic acid is sourced from PubChem (CID 58761966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).