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

C10H20N2O2 — CID 20984892

IUPAC2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-12-6-4-11(3)5-7-12/h4-8H2,1-3H3,(H,13,14)
InChIKeyCJPFOPAVOCAAFH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.34
Rot. Bonds3

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

2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 20984892) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID20984892
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-12-6-4-11(3)5-7-12/h4-8H2,1-3H3,(H,13,14)
InChIKeyCJPFOPAVOCAAFH-UHFFFAOYSA-N
XLogP0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methylpiperazin-1-yl)propanoic acid
CID 1395380
1,4-Bis(2-carboxyethyl)piperazine
CID 79733
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
3-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 12203354
3-(4-Methylpiperazin-1-yl)propanoic acid hydrochloride
CID 12203355
3-(4-Ethylpiperazin-1-yl)propanoic acid
CID 3155212
3-(4-Ethylpiperazin-1-yl)propanoic acid dihydrochloride
CID 45074891
2,2-Dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 124220506
2,2-Dimethyl-3-(piperazin-1-yl)propanoic acid dihydrochloride
CID 146155279
2,2-Dimethyl-3-(piperazin-1-yl)propanoic acid
CID 60205087
3-[4-(2-Carboxyethyl)-1,4-dihydroxypiperazine-1,4-diium-1-yl]propanoic acid
CID 123510495
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoic acid
CID 55141944

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid (CID 20984892) is 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid is CN1CCN(CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is CJPFOPAVOCAAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-12-6-4-11(3)5-7-12/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid?
2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 20984892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).