5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid

C11H15NO5S — CID 63941429

IUPAC5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
SMILESCOCC(C)NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5S/c1-7(5-16-2)12-9(13)6-18-10-4-3-8(17-10)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyULJUBKVIWNLWEA-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.22
Rot. Bonds7

About 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid

5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid (PubChem CID 63941429) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
PubChem CID63941429
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
SMILESCOCC(C)NC(=O)CSc1ccc(C(=O)O)o1
InChIInChI=1S/C11H15NO5S/c1-7(5-16-2)12-9(13)6-18-10-4-3-8(17-10)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyULJUBKVIWNLWEA-UHFFFAOYSA-N
XLogP1.22
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941977
6-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304778
4-fluoro-3-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 80557139
5-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941798
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
5-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylfuran-2-carboxylic acid
CID 63944122
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942948
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 66347465
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 7898043
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7170628
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The IUPAC name of 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid (CID 63941429) is 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The canonical SMILES for 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid is COCC(C)NC(=O)CSc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
The InChIKey is ULJUBKVIWNLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7(5-16-2)12-9(13)6-18-10-4-3-8(17-10)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid?
5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylfuran-2-carboxylic acid is sourced from PubChem (CID 63941429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).