2-(4-acetylpiperazin-1-yl)acetic acid

C8H14N2O3 — CID 2050656

IUPAC2-(4-acetylpiperazin-1-yl)acetic acid
SMILESCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyLOJWUWGLJZYAOE-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.76
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)acetic acid

2-(4-acetylpiperazin-1-yl)acetic acid (PubChem CID 2050656) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)acetic acid
PubChem CID2050656
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(4-acetylpiperazin-1-yl)acetic acid
SMILESCC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyLOJWUWGLJZYAOE-UHFFFAOYSA-N
XLogP-0.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpiperazin-1-yl)acetic acid
CID 2762732
1,4-Piperazinediacetic acid
CID 72640
(4-Methylpiperazin-1-yl)(oxo)acetic acid
CID 2051411
(3-Oxo-1-piperazinyl)acetic acid
CID 4715305
1,4-Piperazinediacetic acid, 2-oxo-
CID 11106762
2-(4-Ethylpiperazin-1-yl)acetic acid hydrochloride
CID 67010630
2-(4-Ethylpiperazin-1-yl)acetic acid
CID 3163246
(4-Butanoylpiperazin-1-YL)acetic acid
CID 28705027
[4-(2-Hydroxyethyl)piperazin-1-yl](oxo)acetic acid
CID 2051421
(4-Methyl-3,5-dioxopiperazin-1-YL)acetic acid
CID 10679103
2-Oxo-1-piperazineacetic acid
CID 23422809
2,2'-(2,5-Dioxopiperazine-1,4-diyl)diacetic acid
CID 23510852

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)acetic acid (CID 2050656) is 2-(4-acetylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)acetic acid is CC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)acetic acid?
The InChIKey is LOJWUWGLJZYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 2-(4-acetylpiperazin-1-yl)acetic acid?
2-(4-acetylpiperazin-1-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 2050656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).