3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid

C8H12N2O3S — CID 106380908

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
SMILESCC(CC(=O)O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(2-7(11)12)9-3-6-4-14-8(13)10-6/h4-5,9H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyCJXWODGFSBLRPD-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.39
Rot. Bonds5

About 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid (PubChem CID 106380908) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
PubChem CID106380908
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
SMILESCC(CC(=O)O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O3S/c1-5(2-7(11)12)9-3-6-4-14-8(13)10-6/h4-5,9H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyCJXWODGFSBLRPD-UHFFFAOYSA-N
XLogP0.39
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]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

Related Compounds

3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
CID 106382333
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43354850
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43360927
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43360933
2-Amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 65443409
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
CID 81967116
2-Methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 104470622
3-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]amino]propanoic acid
CID 106379595
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106379679
4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379892
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 106380541
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid (CID 106380908) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid is CC(CC(=O)O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid?
The InChIKey is CJXWODGFSBLRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-5(2-7(11)12)9-3-6-4-14-8(13)10-6/h4-5,9H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid has a molecular weight of 216.26 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 106380908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).