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

C15H21NO4S — CID 66260303

IUPAC4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-4-5-16(12-8-20-7-11(12)15(18)19)14(17)13-6-9(2)10(3)21-13/h6,11-12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyHGZYVEBHAAGSRM-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.32
Rot. Bonds5

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

4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66260303) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66260303
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O
InChIInChI=1S/C15H21NO4S/c1-4-5-16(12-8-20-7-11(12)15(18)19)14(17)13-6-9(2)10(3)21-13/h6,11-12H,4-5,7-8H2,1-3H3,(H,18,19)
InChIKeyHGZYVEBHAAGSRM-UHFFFAOYSA-N
XLogP2.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.32
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)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 66260303) is 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)c1cc(C)c(C)s1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is HGZYVEBHAAGSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-4-5-16(12-8-20-7-11(12)15(18)19)14(17)13-6-9(2)10(3)21-13/h6,11-12H,4-5,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 311.40 g/mol, XLogP of 2.32, 5 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)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66260303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).