4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid

C14H19NO4S — CID 66246620

IUPAC4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-4-15(11-7-19-6-10(11)14(17)18)13(16)12-5-8(2)9(3)20-12/h5,10-11H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyMGQNJVLBDXMQCO-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.93
Rot. Bonds4

About 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid

4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246620) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246620
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-4-15(11-7-19-6-10(11)14(17)18)13(16)12-5-8(2)9(3)20-12/h5,10-11H,4,6-7H2,1-3H3,(H,17,18)
InChIKeyMGQNJVLBDXMQCO-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid (CID 66246620) is 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is MGQNJVLBDXMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-15(11-7-19-6-10(11)14(17)18)13(16)12-5-8(2)9(3)20-12/h5,10-11H,4,6-7H2,1-3H3,(H,17,18).
What are the key properties of 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylthiophene-2-carbonyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).