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

C11H16N2O4S — CID 61008566

IUPAC3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-3-12(5-4-10(15)16)9(14)6-13-8(2)7-18-11(13)17/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZOBIFRUBIFLFOJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.54
Rot. Bonds6

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

3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 61008566) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID61008566
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C11H16N2O4S/c1-3-12(5-4-10(15)16)9(14)6-13-8(2)7-18-11(13)17/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZOBIFRUBIFLFOJ-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836500
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113476055
2-methyl-2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 62819547
N-ethyl-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134063261
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9467255
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-phenyl-N-propan-2-ylacetamide
CID 87037715
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 79291135
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid
CID 107831593
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
CID 61021434
2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 60829210
N-(2-hydroxycyclohexyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 102635529
2-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]pentanoic acid
CID 65218357

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 61008566) is 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is ZOBIFRUBIFLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-12(5-4-10(15)16)9(14)6-13-8(2)7-18-11(13)17/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61008566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).