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

C13H20N2O4S — CID 43408790

IUPACmethyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-8(2)5-10(12(17)19-4)14-11(16)6-15-9(3)7-20-13(15)18/h7-8,10H,5-6H2,1-4H3,(H,14,16)
InChIKeyBJKNLCQWAMUKJB-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.92
Rot. Bonds6

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

methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate (PubChem CID 43408790) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate
PubChem CID43408790
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H20N2O4S/c1-8(2)5-10(12(17)19-4)14-11(16)6-15-9(3)7-20-13(15)18/h7-8,10H,5-6H2,1-4H3,(H,14,16)
InChIKeyBJKNLCQWAMUKJB-UHFFFAOYSA-N
XLogP0.92
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate (CID 43408790) is methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate?
The InChIKey is BJKNLCQWAMUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8(2)5-10(12(17)19-4)14-11(16)6-15-9(3)7-20-13(15)18/h7-8,10H,5-6H2,1-4H3,(H,14,16).
What are the key properties of methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate?
methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate has a molecular weight of 300.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 43408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).