3-(1-methylpiperazin-2-yl)propanoic acid

C8H16N2O2 — CID 82653436

IUPAC3-(1-methylpiperazin-2-yl)propanoic acid
SMILESCN1CCNCC1CCC(=O)O
InChIInChI=1S/C8H16N2O2/c1-10-5-4-9-6-7(10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyFXMGSLWFFROIJH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)propanoic acid

3-(1-methylpiperazin-2-yl)propanoic acid (PubChem CID 82653436) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)propanoic acid
PubChem CID82653436
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(1-methylpiperazin-2-yl)propanoic acid
SMILESCN1CCNCC1CCC(=O)O
InChIInChI=1S/C8H16N2O2/c1-10-5-4-9-6-7(10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyFXMGSLWFFROIJH-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)propanoic acid?
The IUPAC name of 3-(1-methylpiperazin-2-yl)propanoic acid (CID 82653436) is 3-(1-methylpiperazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)propanoic acid is CN1CCNCC1CCC(=O)O.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)propanoic acid?
The InChIKey is FXMGSLWFFROIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-5-4-9-6-7(10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(1-methylpiperazin-2-yl)propanoic acid?
3-(1-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-(1-methylpiperazin-2-yl)propanoic acid is sourced from PubChem (CID 82653436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).