3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H17NO5S — CID 17379076

IUPAC3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(=O)c1sccc1NC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H17NO5S/c1-21-15(20)12-9(4-5-22-12)16-13(17)10-7-2-3-8(6-7)11(10)14(18)19/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGPPOSTGGXNZMDD-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.22
Rot. Bonds4

About 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 17379076) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID17379076
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOC(=O)c1sccc1NC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H17NO5S/c1-21-15(20)12-9(4-5-22-12)16-13(17)10-7-2-3-8(6-7)11(10)14(18)19/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGPPOSTGGXNZMDD-UHFFFAOYSA-N
XLogP2.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 17379076) is 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is COC(=O)c1sccc1NC(=O)C1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is GPPOSTGGXNZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-21-15(20)12-9(4-5-22-12)16-13(17)10-7-2-3-8(6-7)11(10)14(18)19/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 323.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 17379076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).