2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid

C10H14N2O4S — CID 166254526

IUPAC2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)sn1
InChIInChI=1S/C10H14N2O4S/c1-10(2,9(14)15)12(3)8(13)6-5-7(16-4)11-17-6/h5H,1-4H3,(H,14,15)
InChIKeyRWAWYACZZGJOIJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.09
Rot. Bonds4

About 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 166254526) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID166254526
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCOc1cc(C(=O)N(C)C(C)(C)C(=O)O)sn1
InChIInChI=1S/C10H14N2O4S/c1-10(2,9(14)15)12(3)8(13)6-5-7(16-4)11-17-6/h5H,1-4H3,(H,14,15)
InChIKeyRWAWYACZZGJOIJ-UHFFFAOYSA-N
XLogP1.09
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 166254526) is 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is COc1cc(C(=O)N(C)C(C)(C)C(=O)O)sn1.
What is the InChIKey of 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is RWAWYACZZGJOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,9(14)15)12(3)8(13)6-5-7(16-4)11-17-6/h5H,1-4H3,(H,14,15).
What are the key properties of 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 258.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1,2-thiazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 166254526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).