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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Related Compounds

4-Oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butanoic acid
CID 2815239
delta-Oxo-4-(2-pyrimidinyl)-1-piperazinepentanoic acid
CID 2815238
1-(Pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 2767267
1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
CID 3074860
3-[(Pyrimidin-2-yl)amino]propanoic acid
CID 10511282
N,N-Diethyl-2-(4-pyrimidin-2-yl-piperazin-1-yl)-acetamide
CID 651792
Piperazine, 1-(1,3-dioxobutyl)-4-(2-pyrimidinyl)-
CID 3074859
1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
CID 3074861
2-Pyrimidineacetic Acid
CID 12367098
1-(Pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 4736951
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-pyrimidinyl)-
CID 3066970

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).