methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate

C11H17N3O4S — CID 113330616

IUPACmethyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1snnc1C
InChIInChI=1S/C11H17N3O4S/c1-8-10(19-13-12-8)11(16)14(6-7-17-2)5-4-9(15)18-3/h4-7H2,1-3H3
InChIKeyHHBMIFWOSBZJDL-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.50
Rot. Bonds7

About methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate

methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate (PubChem CID 113330616) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
PubChem CID113330616
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Namemethyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1snnc1C
InChIInChI=1S/C11H17N3O4S/c1-8-10(19-13-12-8)11(16)14(6-7-17-2)5-4-9(15)18-3/h4-7H2,1-3H3
InChIKeyHHBMIFWOSBZJDL-UHFFFAOYSA-N
XLogP0.50
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[2-methoxyethyl(thiadiazole-4-carbonyl)amino]propanoate
CID 78959965
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79026392
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 78959009
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate (CID 113330616) is methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1snnc1C.
What is the InChIKey of methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate?
The InChIKey is HHBMIFWOSBZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8-10(19-13-12-8)11(16)14(6-7-17-2)5-4-9(15)18-3/h4-7H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate?
methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate has a molecular weight of 287.34 g/mol, XLogP of 0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(4-methylthiadiazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 113330616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).