ethyl 3-(4-aminocyclohexyl)propanoate

C11H21NO2 — CID 12614160

IUPACethyl 3-(4-aminocyclohexyl)propanoate
SMILESCCOC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h9-10H,2-8,12H2,1H3
InChIKeyGXDMACATIQSXAV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-(4-aminocyclohexyl)propanoate

ethyl 3-(4-aminocyclohexyl)propanoate (PubChem CID 12614160) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 3-(4-aminocyclohexyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-aminocyclohexyl)propanoate
PubChem CID12614160
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 3-(4-aminocyclohexyl)propanoate
SMILESCCOC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h9-10H,2-8,12H2,1H3
InChIKeyGXDMACATIQSXAV-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-(4-aminocyclohexyl)propanoate?
The IUPAC name of ethyl 3-(4-aminocyclohexyl)propanoate (CID 12614160) is ethyl 3-(4-aminocyclohexyl)propanoate.
What is the SMILES notation for ethyl 3-(4-aminocyclohexyl)propanoate?
The canonical SMILES for ethyl 3-(4-aminocyclohexyl)propanoate is CCOC(=O)CCC1CCC(N)CC1.
What is the InChIKey of ethyl 3-(4-aminocyclohexyl)propanoate?
The InChIKey is GXDMACATIQSXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h9-10H,2-8,12H2,1H3.
What are the key properties of ethyl 3-(4-aminocyclohexyl)propanoate?
ethyl 3-(4-aminocyclohexyl)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminocyclohexyl)propanoate is sourced from PubChem (CID 12614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).