2-(3,4-dimethylpiperazin-1-yl)propanoic acid

C9H18N2O2 — CID 63609228

IUPAC2-(3,4-dimethylpiperazin-1-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CCN1C
InChIInChI=1S/C9H18N2O2/c1-7-6-11(5-4-10(7)3)8(2)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyOMOKSOCICCTJCF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.10
Rot. Bonds2

About 2-(3,4-dimethylpiperazin-1-yl)propanoic acid

2-(3,4-dimethylpiperazin-1-yl)propanoic acid (PubChem CID 63609228) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)propanoic acid
PubChem CID63609228
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CCN1C
InChIInChI=1S/C9H18N2O2/c1-7-6-11(5-4-10(7)3)8(2)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyOMOKSOCICCTJCF-UHFFFAOYSA-N
XLogP0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)propanoic acid (CID 63609228) is 2-(3,4-dimethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)propanoic acid is CC1CN(C(C)C(=O)O)CCN1C.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)propanoic acid?
The InChIKey is OMOKSOCICCTJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-6-11(5-4-10(7)3)8(2)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)propanoic acid?
2-(3,4-dimethylpiperazin-1-yl)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63609228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).