3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid

C14H21N5O3 — CID 129016559

IUPAC3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid
SMILESCCNC(=O)c1cnc(N2CCN(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H21N5O3/c1-2-15-14(22)11-9-17-12(10-16-11)19-7-5-18(6-8-19)4-3-13(20)21/h9-10H,2-8H2,1H3,(H,15,22)(H,20,21)
InChIKeyJVHOQMOPEICUEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.18
Rot. Bonds6

About 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid

3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid (PubChem CID 129016559) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid
PubChem CID129016559
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid
SMILESCCNC(=O)c1cnc(N2CCN(CCC(=O)O)CC2)cn1
InChIInChI=1S/C14H21N5O3/c1-2-15-14(22)11-9-17-12(10-16-11)19-7-5-18(6-8-19)4-3-13(20)21/h9-10H,2-8H2,1H3,(H,15,22)(H,20,21)
InChIKeyJVHOQMOPEICUEC-UHFFFAOYSA-N
XLogP-0.18
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid (CID 129016559) is 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid is CCNC(=O)c1cnc(N2CCN(CCC(=O)O)CC2)cn1.
What is the InChIKey of 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid?
The InChIKey is JVHOQMOPEICUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-2-15-14(22)11-9-17-12(10-16-11)19-7-5-18(6-8-19)4-3-13(20)21/h9-10H,2-8H2,1H3,(H,15,22)(H,20,21).
What are the key properties of 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid?
3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 129016559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).