3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid

C11H21N3O3 — CID 83005393

IUPAC3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H21N3O3/c1-9(8-11(16)17)7-10(15)12-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKZEHQYRGTFGNKX-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.23
Rot. Bonds5

About 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid

3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid (PubChem CID 83005393) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
PubChem CID83005393
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H21N3O3/c1-9(8-11(16)17)7-10(15)12-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKZEHQYRGTFGNKX-UHFFFAOYSA-N
XLogP-0.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83020487
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
3-methyl-5-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 83026209
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020744
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]propanoic acid
CID 83020654
3-methyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 55155029
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
2-[(4-methylpiperazin-1-yl)carbamoylamino]acetic acid
CID 83020661
2-cyano-N-(4-methylpiperazin-1-yl)acetamide
CID 3643961
(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid (CID 83005393) is 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NN1CCN(C)CC1.
What is the InChIKey of 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid?
The InChIKey is KZEHQYRGTFGNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(8-11(16)17)7-10(15)12-14-5-3-13(2)4-6-14/h9H,3-8H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid?
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 83005393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).