methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate

C11H18N2O2S — CID 71986453

IUPACmethyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
SMILESCCC(C)(NCC(=O)OC)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-11(3,12-6-9(14)15-4)10-13-8(2)7-16-10/h7,12H,5-6H2,1-4H3
InChIKeyWALFDWQGOARMHN-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.84
Rot. Bonds5

About methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate

methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate (PubChem CID 71986453) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
PubChem CID71986453
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Namemethyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
SMILESCCC(C)(NCC(=O)OC)c1nc(C)cs1
InChIInChI=1S/C11H18N2O2S/c1-5-11(3,12-6-9(14)15-4)10-13-8(2)7-16-10/h7,12H,5-6H2,1-4H3
InChIKeyWALFDWQGOARMHN-UHFFFAOYSA-N
XLogP1.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The IUPAC name of methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate (CID 71986453) is methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate is CCC(C)(NCC(=O)OC)c1nc(C)cs1.
What is the InChIKey of methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate?
The InChIKey is WALFDWQGOARMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-11(3,12-6-9(14)15-4)10-13-8(2)7-16-10/h7,12H,5-6H2,1-4H3.
What are the key properties of methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate?
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate has a molecular weight of 242.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate is sourced from PubChem (CID 71986453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).