3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid

C12H24N2O2 — CID 63621092

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCCN1CCN(CC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C12H24N2O2/c1-5-14-7-6-13(8-10(14)2)9-12(3,4)11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNWSOUYWMVMJDHV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds4

About 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid

3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 63621092) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID63621092
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
SMILESCCN1CCN(CC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C12H24N2O2/c1-5-14-7-6-13(8-10(14)2)9-12(3,4)11(15)16/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNWSOUYWMVMJDHV-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanoic acid
CID 63927663
4-(4-ethyl-3-methylpiperazin-1-yl)but-2-enoic acid
CID 77000705
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
3-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 62269991
1-amino-2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 64818702
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid (CID 63621092) is 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid is CCN1CCN(CC(C)(C)C(=O)O)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is NWSOUYWMVMJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14-7-6-13(8-10(14)2)9-12(3,4)11(15)16/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid?
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 63621092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).