cyclohexyl 3-amino-2,2-dimethylpropanoate

C11H21NO2 — CID 115428191

IUPACcyclohexyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(CN)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyRCUYNUZYNBHYJF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About cyclohexyl 3-amino-2,2-dimethylpropanoate

cyclohexyl 3-amino-2,2-dimethylpropanoate (PubChem CID 115428191) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is cyclohexyl 3-amino-2,2-dimethylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3-amino-2,2-dimethylpropanoate
PubChem CID115428191
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namecyclohexyl 3-amino-2,2-dimethylpropanoate
SMILESCC(C)(CN)C(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h9H,3-8,12H2,1-2H3
InChIKeyRCUYNUZYNBHYJF-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-amino-2,2-dimethylpropanoate?
The IUPAC name of cyclohexyl 3-amino-2,2-dimethylpropanoate (CID 115428191) is cyclohexyl 3-amino-2,2-dimethylpropanoate.
What is the SMILES notation for cyclohexyl 3-amino-2,2-dimethylpropanoate?
The canonical SMILES for cyclohexyl 3-amino-2,2-dimethylpropanoate is CC(C)(CN)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-amino-2,2-dimethylpropanoate?
The InChIKey is RCUYNUZYNBHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,8-12)10(13)14-9-6-4-3-5-7-9/h9H,3-8,12H2,1-2H3.
What are the key properties of cyclohexyl 3-amino-2,2-dimethylpropanoate?
cyclohexyl 3-amino-2,2-dimethylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-amino-2,2-dimethylpropanoate is sourced from PubChem (CID 115428191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).