2-cyclohexylethyl 3-aminopropanoate

C11H21NO2 — CID 54265058

IUPAC2-cyclohexylethyl 3-aminopropanoate
SMILESNCCC(=O)OCCC1CCCCC1
InChIInChI=1S/C11H21NO2/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyRGEKHRFUPNBIRL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds5

About 2-cyclohexylethyl 3-aminopropanoate

2-cyclohexylethyl 3-aminopropanoate (PubChem CID 54265058) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclohexylethyl 3-aminopropanoate.

Molecular Properties

Compound Name2-cyclohexylethyl 3-aminopropanoate
PubChem CID54265058
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclohexylethyl 3-aminopropanoate
SMILESNCCC(=O)OCCC1CCCCC1
InChIInChI=1S/C11H21NO2/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h10H,1-9,12H2
InChIKeyRGEKHRFUPNBIRL-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2-cyclohexylethyl 3-aminopropanoate?
The IUPAC name of 2-cyclohexylethyl 3-aminopropanoate (CID 54265058) is 2-cyclohexylethyl 3-aminopropanoate.
What is the SMILES notation for 2-cyclohexylethyl 3-aminopropanoate?
The canonical SMILES for 2-cyclohexylethyl 3-aminopropanoate is NCCC(=O)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl 3-aminopropanoate?
The InChIKey is RGEKHRFUPNBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c12-8-6-11(13)14-9-7-10-4-2-1-3-5-10/h10H,1-9,12H2.
What are the key properties of 2-cyclohexylethyl 3-aminopropanoate?
2-cyclohexylethyl 3-aminopropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 3-aminopropanoate is sourced from PubChem (CID 54265058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).