2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid

C12H15N3O3 — CID 114992503

IUPAC2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccn1)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-12(11(17)18,9-4-2-3-5-13-9)15-7-6-14-10(16)8-15/h2-5H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeySOPZXXBDPVOBGC-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.19
Rot. Bonds3

About 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid

2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid (PubChem CID 114992503) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid
PubChem CID114992503
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccn1)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-12(11(17)18,9-4-2-3-5-13-9)15-7-6-14-10(16)8-15/h2-5H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeySOPZXXBDPVOBGC-UHFFFAOYSA-N
XLogP-0.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239
methyl 2-(1,4-diazepan-1-yl)-2-pyridin-2-ylpropanoate
CID 54890200
2-(2-oxo-1-pyridinyl)-2-pyridin-2-ylpropanoic acid
CID 114994211
2-methyl-2-(3-oxopiperazin-1-yl)pentanoic acid
CID 82238430
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114993133
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
ethyl 2-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpropanoate
CID 59570548
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid (CID 114992503) is 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid is CC(C(=O)O)(c1ccccn1)N1CCNC(=O)C1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid?
The InChIKey is SOPZXXBDPVOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(11(17)18,9-4-2-3-5-13-9)15-7-6-14-10(16)8-15/h2-5H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid?
2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid has a molecular weight of 249.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-2-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 114992503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).