2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid

C11H13N3O4S — CID 66355870

IUPAC2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)Nc1ccsc1
InChIInChI=1S/C11H13N3O4S/c15-9(16)5-8-10(17)12-2-3-14(8)11(18)13-7-1-4-19-6-7/h1,4,6,8H,2-3,5H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyKMXRAKNJCWQUAZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.56
Rot. Bonds3

About 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid

2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid (PubChem CID 66355870) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid
PubChem CID66355870
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1C(=O)Nc1ccsc1
InChIInChI=1S/C11H13N3O4S/c15-9(16)5-8-10(17)12-2-3-14(8)11(18)13-7-1-4-19-6-7/h1,4,6,8H,2-3,5H2,(H,12,17)(H,13,18)(H,15,16)
InChIKeyKMXRAKNJCWQUAZ-UHFFFAOYSA-N
XLogP0.56
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic 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 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid?
The IUPAC name of 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid (CID 66355870) is 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1C(=O)Nc1ccsc1.
What is the InChIKey of 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid?
The InChIKey is KMXRAKNJCWQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c15-9(16)5-8-10(17)12-2-3-14(8)11(18)13-7-1-4-19-6-7/h1,4,6,8H,2-3,5H2,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid?
2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid has a molecular weight of 283.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-(thiophen-3-ylcarbamoyl)piperazin-2-yl]acetic acid is sourced from PubChem (CID 66355870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).