3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid

C11H22N2O2 — CID 65420109

IUPAC3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-4-9(2)10(11(14)15)13-7-5-12(3)6-8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyRUIIZWULBJUXJU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds4

About 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid

3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid (PubChem CID 65420109) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
PubChem CID65420109
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCCC(C)C(C(=O)O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-4-9(2)10(11(14)15)13-7-5-12(3)6-8-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyRUIIZWULBJUXJU-UHFFFAOYSA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
2-(2,5-dihydropyrrol-1-yl)-3-methylpentanoic acid
CID 64681872
ethyl 3-methyl-2-(4-methylpiperazin-1-yl)butanoate
CID 20833930
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
CID 79687657
3-(4-methylpiperazin-1-yl)pentan-2-one
CID 173103294
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
2-(4-ethylpiperazin-1-yl)-3-methylbutanoic acid
CID 22683944
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67409048
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
CID 83017050
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
2-[4,7-bis(1-carboxy-4-oxopentyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexanoic acid
CID 58731525

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid (CID 65420109) is 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid is CCC(C)C(C(=O)O)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid?
The InChIKey is RUIIZWULBJUXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9(2)10(11(14)15)13-7-5-12(3)6-8-13/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid?
3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 65420109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).