5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid

C16H23NO4 — CID 102687991

IUPAC5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)O1
InChIInChI=1S/C16H23NO4/c18-15(12-1-2-13(21-12)16(19)20)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-14H,1-7H2,(H,17,18)(H,19,20)
InChIKeyGKRGUYAOWPGWQP-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.56
Rot. Bonds3

About 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid

5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102687991) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102687991
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)O1
InChIInChI=1S/C16H23NO4/c18-15(12-1-2-13(21-12)16(19)20)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-14H,1-7H2,(H,17,18)(H,19,20)
InChIKeyGKRGUYAOWPGWQP-UHFFFAOYSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid (CID 102687991) is 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NC2C3CC4CC(C3)CC2C4)O1.
What is the InChIKey of 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is GKRGUYAOWPGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-15(12-1-2-13(21-12)16(19)20)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h8-14H,1-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid?
5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-adamantylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102687991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).