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

C10H16N2O3S — CID 106380654

IUPACmethyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-10(2,8(13)15-3)6-11-4-7-5-16-9(14)12-7/h5,11H,4,6H2,1-3H3,(H,12,14)
InChIKeyCANOTJXESNYHQJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.73
Rot. Bonds5

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

methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (PubChem CID 106380654) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
PubChem CID106380654
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Namemethyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2O3S/c1-10(2,8(13)15-3)6-11-4-7-5-16-9(14)12-7/h5,11H,4,6H2,1-3H3,(H,12,14)
InChIKeyCANOTJXESNYHQJ-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate with MolForge

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Related Compounds

Methyl 3-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]propanoate
CID 40211294
Methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 40211740
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380668
ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380695
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380780
methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380796
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380801
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380860
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380904
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380931

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (CID 106380654) is methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is COC(=O)C(C)(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The InChIKey is CANOTJXESNYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(2,8(13)15-3)6-11-4-7-5-16-9(14)12-7/h5,11H,4,6H2,1-3H3,(H,12,14).
What are the key properties of methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate has a molecular weight of 244.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106380654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).