5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

C14H19NO4S — CID 119187199

IUPAC5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOC1(C)CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C14H19NO4S/c1-13(2)10(7-14(13,3)19-4)15-11(16)8-5-6-9(20-8)12(17)18/h5-6,10H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyJJYRDPOPXPDXIC-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.38
Rot. Bonds4

About 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid

5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 119187199) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID119187199
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOC1(C)CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C
InChIInChI=1S/C14H19NO4S/c1-13(2)10(7-14(13,3)19-4)15-11(16)8-5-6-9(20-8)12(17)18/h5-6,10H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyJJYRDPOPXPDXIC-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid (CID 119187199) is 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is COC1(C)CC(NC(=O)c2ccc(C(=O)O)s2)C1(C)C.
What is the InChIKey of 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is JJYRDPOPXPDXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-13(2)10(7-14(13,3)19-4)15-11(16)8-5-6-9(20-8)12(17)18/h5-6,10H,7H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119187199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).