ethyl 2-(1-cyclohexylethylamino)acetate

C12H23NO2 — CID 60810659

IUPACethyl 2-(1-cyclohexylethylamino)acetate
SMILESCCOC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHHQVEGZLVHWGSI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-(1-cyclohexylethylamino)acetate

ethyl 2-(1-cyclohexylethylamino)acetate (PubChem CID 60810659) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(1-cyclohexylethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-cyclohexylethylamino)acetate
PubChem CID60810659
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(1-cyclohexylethylamino)acetate
SMILESCCOC(=O)CNC(C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyHHQVEGZLVHWGSI-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-cyclohexylethylamino)acetate?
The IUPAC name of ethyl 2-(1-cyclohexylethylamino)acetate (CID 60810659) is ethyl 2-(1-cyclohexylethylamino)acetate.
What is the SMILES notation for ethyl 2-(1-cyclohexylethylamino)acetate?
The canonical SMILES for ethyl 2-(1-cyclohexylethylamino)acetate is CCOC(=O)CNC(C)C1CCCCC1.
What is the InChIKey of ethyl 2-(1-cyclohexylethylamino)acetate?
The InChIKey is HHQVEGZLVHWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(1-cyclohexylethylamino)acetate?
ethyl 2-(1-cyclohexylethylamino)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-cyclohexylethylamino)acetate is sourced from PubChem (CID 60810659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).