ethyl 2-amino-2-cycloheptylacetate

C11H21NO2 — CID 54339039

IUPACethyl 2-amino-2-cycloheptylacetate
SMILESCCOC(=O)C(N)C1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10(12)9-7-5-3-4-6-8-9/h9-10H,2-8,12H2,1H3
InChIKeyGRJOHMIFRFCROR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-amino-2-cycloheptylacetate

ethyl 2-amino-2-cycloheptylacetate (PubChem CID 54339039) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-amino-2-cycloheptylacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-cycloheptylacetate
PubChem CID54339039
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-amino-2-cycloheptylacetate
SMILESCCOC(=O)C(N)C1CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10(12)9-7-5-3-4-6-8-9/h9-10H,2-8,12H2,1H3
InChIKeyGRJOHMIFRFCROR-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 ethyl 2-amino-2-cycloheptylacetate?
The IUPAC name of ethyl 2-amino-2-cycloheptylacetate (CID 54339039) is ethyl 2-amino-2-cycloheptylacetate.
What is the SMILES notation for ethyl 2-amino-2-cycloheptylacetate?
The canonical SMILES for ethyl 2-amino-2-cycloheptylacetate is CCOC(=O)C(N)C1CCCCCC1.
What is the InChIKey of ethyl 2-amino-2-cycloheptylacetate?
The InChIKey is GRJOHMIFRFCROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)10(12)9-7-5-3-4-6-8-9/h9-10H,2-8,12H2,1H3.
What are the key properties of ethyl 2-amino-2-cycloheptylacetate?
ethyl 2-amino-2-cycloheptylacetate 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 ethyl 2-amino-2-cycloheptylacetate is sourced from PubChem (CID 54339039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).