3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid

C12H17N3O3S — CID 103487569

IUPAC3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC1(C)C(=O)NCCN1c1nc(CCC(=O)O)cs1
InChIInChI=1S/C12H17N3O3S/c1-12(2)10(18)13-5-6-15(12)11-14-8(7-19-11)3-4-9(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyJVXVRUGQTMRUDI-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.88
Rot. Bonds4

About 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103487569) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103487569
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC1(C)C(=O)NCCN1c1nc(CCC(=O)O)cs1
InChIInChI=1S/C12H17N3O3S/c1-12(2)10(18)13-5-6-15(12)11-14-8(7-19-11)3-4-9(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyJVXVRUGQTMRUDI-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-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

Related Compounds

3-[2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487968
3-[2-(3,3-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103488147
4-[2-(2,5-dioxoimidazolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 114007854
4-[2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-1,3-thiazol-4-yl]butanoic acid
CID 80656687
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
3-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487248
3-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]propanoic acid
CID 103486642
3-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 168704039
4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one
CID 66278371
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-3,3-dimethylpiperazin-2-one
CID 55215734
4-[4-(aminomethyl)pyrimidin-2-yl]-3,3-dimethylpiperazin-2-one
CID 107542013
3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488392

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103487569) is 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid is CC1(C)C(=O)NCCN1c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is JVXVRUGQTMRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(2)10(18)13-5-6-15(12)11-14-8(7-19-11)3-4-9(16)17/h7H,3-6H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).