4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid

C10H16N2O2S — CID 60828365

IUPAC4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyUWUZBVWAUWDRKQ-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.22
Rot. Bonds6

About 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid

4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid (PubChem CID 60828365) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
PubChem CID60828365
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)c1nccs1
InChIInChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyUWUZBVWAUWDRKQ-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic 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 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The IUPAC name of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid (CID 60828365) is 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)c1nccs1.
What is the InChIKey of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
The InChIKey is UWUZBVWAUWDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)12(6-3-4-9(13)14)10-11-5-7-15-10/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid?
4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid has a molecular weight of 228.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(1,3-thiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 60828365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).