2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid

C13H20N2O3S — CID 119224216

IUPAC2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1csc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-5-9(11(17)18)15-10(16)6-8-7-19-12(14-8)13(2,3)4/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVIVFWAONOBNQAX-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.96
Rot. Bonds5

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

2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 119224216) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
PubChem CID119224216
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1csc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-5-9(11(17)18)15-10(16)6-8-7-19-12(14-8)13(2,3)4/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVIVFWAONOBNQAX-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194455
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
(2S)-2-[[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695778
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 95773781
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119525132
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
(2R)-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-4-methylpentanoic acid
CID 120511468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (CID 119224216) is 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1csc(C(C)(C)C)n1)C(=O)O.
What is the InChIKey of 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is VIVFWAONOBNQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-9(11(17)18)15-10(16)6-8-7-19-12(14-8)13(2,3)4/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 284.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119224216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).