3-(4-methylpiperazin-1-yl)propanoic acid

C8H16N2O2 — CID 1395380

IUPAC3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyJSHLMMUXJIDENZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.29
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)propanoic acid

3-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 1395380) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID1395380
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(4-methylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKeyJSHLMMUXJIDENZ-UHFFFAOYSA-N
XLogP-0.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethylenediaminetetrapropionic acid
CID 105878
1,4-Bis(2-carboxyethyl)piperazine
CID 79733
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanoic acid
CID 2759314
3-(Dipropylamino)propanoic acid
CID 351690
Dimethyl piperazine-1,4-dipropionate
CID 77656
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
1,4-Dimethyl-2-piperazineacetic acid
CID 3146197
Methyl 3-(4-Methylpiperazin-1-yl)propanoate
CID 12203350
3-(4-Methylpiperazin-1-yl)propanoic acid dihydrochloride
CID 12203354
3-(4-Methylpiperazin-1-yl)propanoic acid hydrochloride
CID 12203355
Methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride
CID 45264871
3-(4-Ethylpiperazin-1-yl)propanoic acid
CID 3155212

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanoic acid (CID 1395380) is 3-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanoic acid is CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is JSHLMMUXJIDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12).
What are the key properties of 3-(4-methylpiperazin-1-yl)propanoic acid?
3-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 1395380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).