5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid

C12H15NO5S — CID 114188481

IUPAC5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(O)c2ccsc2)O1
InChIInChI=1S/C12H15NO5S/c14-8(7-3-4-19-6-7)5-13-11(15)9-1-2-10(18-9)12(16)17/h3-4,6,8-10,14H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyRIDUUPHFUJDWAL-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.53
Rot. Bonds5

About 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid

5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 114188481) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID114188481
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCC(O)c2ccsc2)O1
InChIInChI=1S/C12H15NO5S/c14-8(7-3-4-19-6-7)5-13-11(15)9-1-2-10(18-9)12(16)17/h3-4,6,8-10,14H,1-2,5H2,(H,13,15)(H,16,17)
InChIKeyRIDUUPHFUJDWAL-UHFFFAOYSA-N
XLogP0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 106435475
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106436158
trans-(1S,2S)-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97085312
2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441285
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 103686497
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103686128
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441091

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid (CID 114188481) is 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCC(O)c2ccsc2)O1.
What is the InChIKey of 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RIDUUPHFUJDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-8(7-3-4-19-6-7)5-13-11(15)9-1-2-10(18-9)12(16)17/h3-4,6,8-10,14H,1-2,5H2,(H,13,15)(H,16,17).
What are the key properties of 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 114188481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).