5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid

C16H27NO4 — CID 102688889

IUPAC5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCC(C(=O)O)O2)CC(C)(C)C1
InChIInChI=1S/C16H27NO4/c1-15(2)7-10(8-16(3,4)9-15)17-13(18)11-5-6-12(21-11)14(19)20/h10-12H,5-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFVOAPVVTSOKCLC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.34
Rot. Bonds3

About 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid

5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688889) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688889
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCC(C(=O)O)O2)CC(C)(C)C1
InChIInChI=1S/C16H27NO4/c1-15(2)7-10(8-16(3,4)9-15)17-13(18)11-5-6-12(21-11)14(19)20/h10-12H,5-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFVOAPVVTSOKCLC-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688889) is 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid is CC1(C)CC(NC(=O)C2CCC(C(=O)O)O2)CC(C)(C)C1.
What is the InChIKey of 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is FVOAPVVTSOKCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2)7-10(8-16(3,4)9-15)17-13(18)11-5-6-12(21-11)14(19)20/h10-12H,5-9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).