2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid

C11H22N2O2 — CID 67309269

IUPAC2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid
SMILESCCC(CCN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-10(11(14)15)4-5-13-8-6-12(2)7-9-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyRKFMJFVLFJJQKX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds5

About 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid

2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid (PubChem CID 67309269) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid
PubChem CID67309269
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid
SMILESCCC(CCN1CCN(C)CC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-3-10(11(14)15)4-5-13-8-6-12(2)7-9-13/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyRKFMJFVLFJJQKX-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
2-[2-(4-methylpiperazin-1-yl)ethylsulfinyl]butanoic acid
CID 105355513
2-(2-piperazin-1-ylethyl)hexanoic acid
CID 142749407
2-ethylpentanoic acid
CID 158993232
2-[2-(4-oxopiperidin-1-yl)ethyl]hexanoic acid
CID 142749227
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
2-ethylpentanoic acid
CID 30020
2-ethyl-6-[4-[2-(4-methylpentan-2-ylideneamino)ethyl]piperazin-1-yl]hexanoic acid
CID 135389578
(2S)-4-[4,7-bis[(3S)-3-carboxy-3-hydroxypropyl]-1,4,7-triazonan-1-yl]-2-hydroxybutanoic acid
CID 100975511
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
(2S)-2-(methylamino)-6-(4-methylpiperazin-1-yl)hexanoic acid
CID 167175161
methyl (2S)-2-amino-4-(4-methylpiperazin-1-yl)butanoate
CID 94964874

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid?
The IUPAC name of 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid (CID 67309269) is 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid?
The canonical SMILES for 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid is CCC(CCN1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid?
The InChIKey is RKFMJFVLFJJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(11(14)15)4-5-13-8-6-12(2)7-9-13/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid?
2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid is sourced from PubChem (CID 67309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).