2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid

C10H21N3O2 — CID 83020812

IUPAC2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid
SMILESCN1CCN(NCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H21N3O2/c1-10(2,9(14)15)8-11-13-6-4-12(3)5-7-13/h11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOAICUWPWQUFZEK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.15
Rot. Bonds4

About 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid

2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid (PubChem CID 83020812) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid
PubChem CID83020812
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid
SMILESCN1CCN(NCC(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H21N3O2/c1-10(2,9(14)15)8-11-13-6-4-12(3)5-7-13/h11H,4-8H2,1-3H3,(H,14,15)
InChIKeyOAICUWPWQUFZEK-UHFFFAOYSA-N
XLogP-0.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid (CID 83020812) is 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid is CN1CCN(NCC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid?
The InChIKey is OAICUWPWQUFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,9(14)15)8-11-13-6-4-12(3)5-7-13/h11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid?
2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid has a molecular weight of 215.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)amino]propanoic acid is sourced from PubChem (CID 83020812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).