4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C11H11Cl2NO4S — CID 107959663

IUPAC4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cc(Cl)sc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C11H11Cl2NO4S/c1-14(7-4-18-3-6(7)11(16)17)10(15)5-2-8(12)19-9(5)13/h2,6-7H,3-4H2,1H3,(H,16,17)
InChIKeyYSBYLKZLEHZUDL-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.23
Rot. Bonds3

About 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 107959663) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID107959663
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cc(Cl)sc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C11H11Cl2NO4S/c1-14(7-4-18-3-6(7)11(16)17)10(15)5-2-8(12)19-9(5)13/h2,6-7H,3-4H2,1H3,(H,16,17)
InChIKeyYSBYLKZLEHZUDL-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66235348
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[(2-hydroxy-3,5-diiodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237753
4-[(2,5-dichlorothiophen-3-yl)sulfonyl-ethylamino]oxolane-3-carboxylic acid
CID 66246843
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 107959663) is 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)c1cc(Cl)sc1Cl)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is YSBYLKZLEHZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c1-14(7-4-18-3-6(7)11(16)17)10(15)5-2-8(12)19-9(5)13/h2,6-7H,3-4H2,1H3,(H,16,17).
What are the key properties of 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 324.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107959663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).