3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid

C15H25NO4 — CID 120532834

IUPAC3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CC(C(=O)NC2(C(=O)O)CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H25NO4/c1-10-6-11(8-14(2,3)7-10)12(17)16-15(13(18)19)4-5-20-9-15/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKKKPDTGAGQPYLU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds3

About 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid

3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 120532834) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID120532834
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CC(C(=O)NC2(C(=O)O)CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H25NO4/c1-10-6-11(8-14(2,3)7-10)12(17)16-15(13(18)19)4-5-20-9-15/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKKKPDTGAGQPYLU-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530542
3-[(5-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 114824486
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
3-[(2,2-dimethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64892260
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890928
3-[[methyl(oxan-4-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64893257
3-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 64893474

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid (CID 120532834) is 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid is CC1CC(C(=O)NC2(C(=O)O)CCOC2)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KKKPDTGAGQPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10-6-11(8-14(2,3)7-10)12(17)16-15(13(18)19)4-5-20-9-15/h10-11H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5-trimethylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).