2-ethoxyethyl 2-amino-2-cyclohexylacetate

C12H23NO3 — CID 61277823

IUPAC2-ethoxyethyl 2-amino-2-cyclohexylacetate
SMILESCCOCCOC(=O)C(N)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-15-8-9-16-12(14)11(13)10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3
InChIKeySQBWQJNYYCGRGP-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds6

About 2-ethoxyethyl 2-amino-2-cyclohexylacetate

2-ethoxyethyl 2-amino-2-cyclohexylacetate (PubChem CID 61277823) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-2-cyclohexylacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-2-cyclohexylacetate
PubChem CID61277823
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethoxyethyl 2-amino-2-cyclohexylacetate
SMILESCCOCCOC(=O)C(N)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-15-8-9-16-12(14)11(13)10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3
InChIKeySQBWQJNYYCGRGP-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-2-cyclohexylacetate?
The IUPAC name of 2-ethoxyethyl 2-amino-2-cyclohexylacetate (CID 61277823) is 2-ethoxyethyl 2-amino-2-cyclohexylacetate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-2-cyclohexylacetate?
The canonical SMILES for 2-ethoxyethyl 2-amino-2-cyclohexylacetate is CCOCCOC(=O)C(N)C1CCCCC1.
What is the InChIKey of 2-ethoxyethyl 2-amino-2-cyclohexylacetate?
The InChIKey is SQBWQJNYYCGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-15-8-9-16-12(14)11(13)10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-ethoxyethyl 2-amino-2-cyclohexylacetate?
2-ethoxyethyl 2-amino-2-cyclohexylacetate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-amino-2-cyclohexylacetate is sourced from PubChem (CID 61277823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).