4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid

C14H25NO3 — CID 66267283

IUPAC4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1CCC(C)(C)CC1)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2)6-4-10(5-7-14)15(3)12-9-18-8-11(12)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyNFFHFCWTQHOTKA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.99
Rot. Bonds3

About 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid

4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267283) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66267283
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C1CCC(C)(C)CC1)C1COCC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-14(2)6-4-10(5-7-14)15(3)12-9-18-8-11(12)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyNFFHFCWTQHOTKA-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[methyl-(2-methylcyclopentyl)amino]oxolane-3-carboxylic acid
CID 66267472
4-[(2-hydroxycycloheptyl)-methylamino]oxolane-3-carboxylic acid
CID 66238217
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[methyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66266721
4-[methyl-(2-propan-2-yloxan-4-yl)amino]oxolane-3-carboxylic acid
CID 66267670
4-[methyl-(4-methylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66236430
4-[methyl-[3-(2-methylpropyl)cyclohexyl]amino]oxolane-3-carboxylic acid
CID 107430466
4-[methyl-(2-methylcyclopropanecarbonyl)amino]oxolane-3-carboxylic acid
CID 66236548
4-[(3,3-dimethylpiperidine-1-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66266137
4-[cyclooctanecarbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236752
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid (CID 66267283) is 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid is CN(C1CCC(C)(C)CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is NFFHFCWTQHOTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(2)6-4-10(5-7-14)15(3)12-9-18-8-11(12)13(16)17/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid?
4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-dimethylcyclohexyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).