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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Related Compounds

(2R,5S)-5-(cyclooctylcarbamoyl)oxolane-2-carboxylic acid
CID 102944337
cis-(1S,2R)-2-(2-adamantylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93366506
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 103062485
5-[(2-hydroxycyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688444
(1R,2S,3R,4S)-3-(2-adamantylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 40635398
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688889
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
2-[2-(2-adamantylcarbamoyl)morpholin-4-yl]acetic acid
CID 66555227

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).