(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate

C13H23NO3 — CID 64890439

IUPAC(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2(N)CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-9-5-10(2)7-11(6-9)17-12(15)13(14)3-4-16-8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyNTKZFTUMVWPTFT-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.47
Rot. Bonds2

About (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate

(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate (PubChem CID 64890439) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
PubChem CID64890439
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate
SMILESCC1CC(C)CC(OC(=O)C2(N)CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-9-5-10(2)7-11(6-9)17-12(15)13(14)3-4-16-8-13/h9-11H,3-8,14H2,1-2H3
InChIKeyNTKZFTUMVWPTFT-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylcyclohexyl) 4-aminooxane-4-carboxylate
CID 113280395
cyclobutyl 4-aminooxane-4-carboxylate
CID 115292709
1-(3-aminooxolan-3-yl)ethanone
CID 59621130
3-amino-N-(3-methylcyclohexyl)oxolane-3-carboxamide
CID 64893109
(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
CID 116579553
(3,5-dimethylcyclohexyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 115444649
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
(3S)-3-aminooxolane-3-carboxamide
CID 96640573
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
1-(3-aminooxolan-3-yl)-2,2-dimethylpropan-1-one
CID 116579625
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817
oxolan-3-yl 1-aminocyclopropane-1-carboxylate
CID 65453525

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate?
The IUPAC name of (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate (CID 64890439) is (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate is CC1CC(C)CC(OC(=O)C2(N)CCOC2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate?
The InChIKey is NTKZFTUMVWPTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9-5-10(2)7-11(6-9)17-12(15)13(14)3-4-16-8-13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate?
(3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 3-aminooxolane-3-carboxylate is sourced from PubChem (CID 64890439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).