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

C11H16N2O4S — CID 55007900

IUPAC2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7(10(15)16)4-12(3)9(14)5-13-8(2)6-18-11(13)17/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyJSVZWFRJRKAYQB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.40
Rot. Bonds5

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

2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 55007900) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
PubChem CID55007900
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-7(10(15)16)4-12(3)9(14)5-13-8(2)6-18-11(13)17/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyJSVZWFRJRKAYQB-UHFFFAOYSA-N
XLogP0.40
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[Methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43172434
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43354850
3-[4-[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazin-1-yl]propanoic acid
CID 43522044
2-[Cyclopropylmethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 43655672
Methyl 3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 54898507
3-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 54926464
Methyl 3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 54980026
Methyl 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 55008456
2-[Methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 55097019
3-[Ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123295
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 55135866
3-[Tert-butyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 60825444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid (CID 55007900) is 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is Cc1csc(=O)n1CC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is JSVZWFRJRKAYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(10(15)16)4-12(3)9(14)5-13-8(2)6-18-11(13)17/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[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 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).