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

C10H15N3O4S — CID 106382759

IUPAC4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c1-13(4-2-3-8(14)15)9(16)11-5-7-6-18-10(17)12-7/h6H,2-5H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyZBGBXLFGKDBRLL-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.44
Rot. Bonds6

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

4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid (PubChem CID 106382759) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid
PubChem CID106382759
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H15N3O4S/c1-13(4-2-3-8(14)15)9(16)11-5-7-6-18-10(17)12-7/h6H,2-5H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyZBGBXLFGKDBRLL-UHFFFAOYSA-N
XLogP0.44
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid (CID 106382759) is 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid?
The InChIKey is ZBGBXLFGKDBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13(4-2-3-8(14)15)9(16)11-5-7-6-18-10(17)12-7/h6H,2-5H2,1H3,(H,11,16)(H,12,17)(H,14,15).
What are the key properties of 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid?
4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 106382759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).