2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid

C13H18N4O4 — CID 62315671

IUPAC2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C13H18N4O4/c1-10(12(19)20)15-5-7-16(8-6-15)11(18)9-17-4-2-3-14-13(17)21/h2-4,10H,5-9H2,1H3,(H,19,20)
InChIKeyONIXTWWKXMVCSB-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.14
Rot. Bonds4

About 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid

2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 62315671) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
PubChem CID62315671
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C13H18N4O4/c1-10(12(19)20)15-5-7-16(8-6-15)11(18)9-17-4-2-3-14-13(17)21/h2-4,10H,5-9H2,1H3,(H,19,20)
InChIKeyONIXTWWKXMVCSB-UHFFFAOYSA-N
XLogP-1.14
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid (CID 62315671) is 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is ONIXTWWKXMVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-10(12(19)20)15-5-7-16(8-6-15)11(18)9-17-4-2-3-14-13(17)21/h2-4,10H,5-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid?
2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of -1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62315671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).