4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid

C9H17N3O3 — CID 4613419

IUPAC4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
SMILESCN1CCN(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c1-11-4-6-12(7-5-11)10-8(13)2-3-9(14)15/h2-7H2,1H3,(H,10,13)(H,14,15)
InChIKeyZVFZPASIHRUCFZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.87
Rot. Bonds4

About 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid

4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid (PubChem CID 4613419) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
PubChem CID4613419
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
SMILESCN1CCN(NC(=O)CCC(=O)O)CC1
InChIInChI=1S/C9H17N3O3/c1-11-4-6-12(7-5-11)10-8(13)2-3-9(14)15/h2-7H2,1H3,(H,10,13)(H,14,15)
InChIKeyZVFZPASIHRUCFZ-UHFFFAOYSA-N
XLogP-0.87
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxo-4-(piperidin-1-ylamino)butanoic acid
CID 66637471
4-(2,2-Dimethylhydrazinyl)-4-oxobutanoic acid;1,1-dimethylpiperidin-1-ium
CID 70363871
4-[(4-Aminopiperazin-1-yl)amino]-4-oxobutanoic acid
CID 156377262
4-(2,2-Diethylhydrazinyl)-4-oxobutanoic acid
CID 177723327
4-[(4-Methylpiperazin-4-ium-1-yl)amino]-4-oxobutanoate
CID 40567346
4-[[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]amino]-4-oxobutanoic acid
CID 53273916
Ethyl 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoate
CID 78911891
4-(4-Aminopiperazin-1-yl)-4-oxobutanoic acid
CID 82282364
2,2-Diethyl-4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
CID 83005188
2,2-Dimethyl-4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
CID 83005394
3-Amino-4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid
CID 83016089
4-[(4-Methylpiperazin-1-yl)amino]butanoic acid
CID 83021472

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid (CID 4613419) is 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid is CN1CCN(NC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid?
The InChIKey is ZVFZPASIHRUCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11-4-6-12(7-5-11)10-8(13)2-3-9(14)15/h2-7H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid?
4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 4613419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).