ethyl 2-(4-aminocyclohexyl)acetate

C10H19NO2 — CID 3573480

IUPACethyl 2-(4-aminocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(N)CC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3
InChIKeySBVCDGKSVSHGFL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds3

About ethyl 2-(4-aminocyclohexyl)acetate

ethyl 2-(4-aminocyclohexyl)acetate (PubChem CID 3573480) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-(4-aminocyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-aminocyclohexyl)acetate
PubChem CID3573480
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-(4-aminocyclohexyl)acetate
SMILESCCOC(=O)CC1CCC(N)CC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3
InChIKeySBVCDGKSVSHGFL-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminocyclohexyl)acetate?
The IUPAC name of ethyl 2-(4-aminocyclohexyl)acetate (CID 3573480) is ethyl 2-(4-aminocyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(4-aminocyclohexyl)acetate?
The canonical SMILES for ethyl 2-(4-aminocyclohexyl)acetate is CCOC(=O)CC1CCC(N)CC1.
What is the InChIKey of ethyl 2-(4-aminocyclohexyl)acetate?
The InChIKey is SBVCDGKSVSHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3.
What are the key properties of ethyl 2-(4-aminocyclohexyl)acetate?
ethyl 2-(4-aminocyclohexyl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminocyclohexyl)acetate is sourced from PubChem (CID 3573480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).