3-(4-methylpiperazin-2-yl)propanoic acid

C8H16N2O2 — CID 54495672

IUPAC3-(4-methylpiperazin-2-yl)propanoic acid
SMILESCN1CCNC(CCC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10-5-4-9-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyFJAHVJSWBPIZHN-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds3

About 3-(4-methylpiperazin-2-yl)propanoic acid

3-(4-methylpiperazin-2-yl)propanoic acid (PubChem CID 54495672) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(4-methylpiperazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-2-yl)propanoic acid
PubChem CID54495672
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(4-methylpiperazin-2-yl)propanoic acid
SMILESCN1CCNC(CCC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10-5-4-9-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyFJAHVJSWBPIZHN-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylpiperazin-2-yl)propanoic 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

methyl-[(4-methylpiperazin-2-yl)methyl]carbamic acid
CID 130404511
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
N,N-diethyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 83619171
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
1-[2-(4-methylpiperazin-2-yl)ethyl]piperidine-2,6-dione
CID 117029785
1-(4-methylpiperazin-2-yl)-4-(sulfanylmethoxy)butan-2-one
CID 20647923
N-tert-butyl-N-methyl-2-(4-methylpiperazin-2-yl)acetamide
CID 115178265
3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-2-yl)propanoic acid?
The IUPAC name of 3-(4-methylpiperazin-2-yl)propanoic acid (CID 54495672) is 3-(4-methylpiperazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methylpiperazin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methylpiperazin-2-yl)propanoic acid is CN1CCNC(CCC(=O)O)C1.
What is the InChIKey of 3-(4-methylpiperazin-2-yl)propanoic acid?
The InChIKey is FJAHVJSWBPIZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-5-4-9-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(4-methylpiperazin-2-yl)propanoic acid?
3-(4-methylpiperazin-2-yl)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-2-yl)propanoic acid is sourced from PubChem (CID 54495672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).