2-(4-methylpiperazin-1-yl)propanoic acid

C8H16N2O2 — CID 20649699

IUPAC2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyLZRLSYGKEOASIP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.29
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)propanoic acid

2-(4-methylpiperazin-1-yl)propanoic acid (PubChem CID 20649699) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)propanoic acid
PubChem CID20649699
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(4-methylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyLZRLSYGKEOASIP-UHFFFAOYSA-N
XLogP-0.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)propanoic acid (CID 20649699) is 2-(4-methylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)propanoic acid?
The InChIKey is LZRLSYGKEOASIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(4-methylpiperazin-1-yl)propanoic acid?
2-(4-methylpiperazin-1-yl)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 20649699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).