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

C11H16N4O2 — CID 20992085

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(10(16)17)14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyOCRBECXKFOFUOW-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.07
Rot. Bonds3

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

2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 20992085) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
PubChem CID20992085
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(10(16)17)14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4,9H,5-8H2,1H3,(H,16,17)
InChIKeyOCRBECXKFOFUOW-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid (CID 20992085) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is OCRBECXKFOFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(10(16)17)14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4,9H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid?
2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 236.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 20992085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).