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

C9H12N2O4S — CID 43356325

IUPAC2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6-5-16-9(15)11(6)3-7(12)10(2)4-8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyONBIBDWVVKFMJO-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.24
Rot. Bonds4

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

2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid (PubChem CID 43356325) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
PubChem CID43356325
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)N(C)CC(=O)O
InChIInChI=1S/C9H12N2O4S/c1-6-5-16-9(15)11(6)3-7(12)10(2)4-8(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyONBIBDWVVKFMJO-UHFFFAOYSA-N
XLogP-0.24
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid (CID 43356325) is 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid is Cc1csc(=O)n1CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
The InChIKey is ONBIBDWVVKFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6-5-16-9(15)11(6)3-7(12)10(2)4-8(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid has a molecular weight of 244.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43356325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).