methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate

C10H16N2O3S — CID 106380860

IUPACmethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-6(9(13)15-3)7(2)11-4-8-5-16-10(14)12-8/h5-7,11H,4H2,1-3H3,(H,12,14)
InChIKeyFERONNCXNDCRSC-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.72
Rot. Bonds5

About methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate

methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (PubChem CID 106380860) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
PubChem CID106380860
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Namemethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
SMILESCOC(=O)C(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-6(9(13)15-3)7(2)11-4-8-5-16-10(14)12-8/h5-7,11H,4H2,1-3H3,(H,12,14)
InChIKeyFERONNCXNDCRSC-UHFFFAOYSA-N
XLogP0.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The IUPAC name of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate (CID 106380860) is methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is COC(=O)C(C)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
The InChIKey is FERONNCXNDCRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-6(9(13)15-3)7(2)11-4-8-5-16-10(14)12-8/h5-7,11H,4H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate?
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate has a molecular weight of 244.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate is sourced from PubChem (CID 106380860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).