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

C11H22N2O2 — CID 65422292

IUPAC4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCC(C)C(CC(=O)O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)10(8-11(14)15)13-6-4-12(3)5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyYFWRTRMQADTYTO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds4

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

4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid (PubChem CID 65422292) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
PubChem CID65422292
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
SMILESCC(C)C(CC(=O)O)N1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)10(8-11(14)15)13-6-4-12(3)5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyYFWRTRMQADTYTO-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-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
3-(3-hydroxypyrrolidin-1-yl)-4-methylpentanoic acid
CID 83819381
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]sulfamoyl]propanoic acid
CID 61240639
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
5,5-dimethyl-3-(4-methylpiperazin-1-yl)hexanoic acid
CID 65422501
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
3-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylpentanoic acid
CID 112709333
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
4-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64527753
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83020487

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid (CID 65422292) is 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid is CC(C)C(CC(=O)O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid?
The InChIKey is YFWRTRMQADTYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)10(8-11(14)15)13-6-4-12(3)5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid?
4-methyl-3-(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 4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 65422292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).