2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid

C9H16N2O3 — CID 131531387

IUPAC2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid
SMILESCC(=O)N1CCN(C)C(CC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-3-10(2)8(6-11)5-9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyGFJGHTORYXPNEW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.38
Rot. Bonds2

About 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid

2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid (PubChem CID 131531387) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid
PubChem CID131531387
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid
SMILESCC(=O)N1CCN(C)C(CC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-7(12)11-4-3-10(2)8(6-11)5-9(13)14/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyGFJGHTORYXPNEW-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid (CID 131531387) is 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid is CC(=O)N1CCN(C)C(CC(=O)O)C1.
What is the InChIKey of 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid?
The InChIKey is GFJGHTORYXPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11-4-3-10(2)8(6-11)5-9(13)14/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid?
2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1-methylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 131531387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).