3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid

C11H16N4O2 — CID 22337270

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c16-10(17)2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-9H2,(H,16,17)
InChIKeyYITKIMIVXHDPLW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.07
Rot. Bonds4

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid

3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 22337270) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
PubChem CID22337270
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c16-10(17)2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-9H2,(H,16,17)
InChIKeyYITKIMIVXHDPLW-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid (CID 22337270) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid is O=C(O)CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is YITKIMIVXHDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(17)2-5-14-6-8-15(9-7-14)11-12-3-1-4-13-11/h1,3-4H,2,5-9H2,(H,16,17).
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 22337270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).