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

C11H16N2O3S — CID 119224070

IUPAC2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCCc1nc(CC(=O)NC(CC)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-8(11(15)16)13-9(14)5-7-6-17-10(4-2)12-7/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKWNGNCZLBVQYIG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.23
Rot. Bonds6

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

2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 119224070) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
PubChem CID119224070
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCCc1nc(CC(=O)NC(CC)C(=O)O)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-8(11(15)16)13-9(14)5-7-6-17-10(4-2)12-7/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyKWNGNCZLBVQYIG-UHFFFAOYSA-N
XLogP1.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224216
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
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-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 107822577
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(4-fluorophenoxy)propan-2-yl]acetamide
CID 86832332

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (CID 119224070) is 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is CCc1nc(CC(=O)NC(CC)C(=O)O)cs1.
What is the InChIKey of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is KWNGNCZLBVQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8(11(15)16)13-9(14)5-7-6-17-10(4-2)12-7/h6,8H,3-5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119224070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).