(2-ethylcyclohexyl) 3-aminopropanoate

C11H21NO2 — CID 61276837

IUPAC(2-ethylcyclohexyl) 3-aminopropanoate
SMILESCCC1CCCCC1OC(=O)CCN
InChIInChI=1S/C11H21NO2/c1-2-9-5-3-4-6-10(9)14-11(13)7-8-12/h9-10H,2-8,12H2,1H3
InChIKeyMCKNUOJAECGKFT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds4

About (2-ethylcyclohexyl) 3-aminopropanoate

(2-ethylcyclohexyl) 3-aminopropanoate (PubChem CID 61276837) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-aminopropanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-aminopropanoate
PubChem CID61276837
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2-ethylcyclohexyl) 3-aminopropanoate
SMILESCCC1CCCCC1OC(=O)CCN
InChIInChI=1S/C11H21NO2/c1-2-9-5-3-4-6-10(9)14-11(13)7-8-12/h9-10H,2-8,12H2,1H3
InChIKeyMCKNUOJAECGKFT-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 (2-ethylcyclohexyl) 3-aminopropanoate?
The IUPAC name of (2-ethylcyclohexyl) 3-aminopropanoate (CID 61276837) is (2-ethylcyclohexyl) 3-aminopropanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-aminopropanoate?
The canonical SMILES for (2-ethylcyclohexyl) 3-aminopropanoate is CCC1CCCCC1OC(=O)CCN.
What is the InChIKey of (2-ethylcyclohexyl) 3-aminopropanoate?
The InChIKey is MCKNUOJAECGKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-9-5-3-4-6-10(9)14-11(13)7-8-12/h9-10H,2-8,12H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 3-aminopropanoate?
(2-ethylcyclohexyl) 3-aminopropanoate 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 (2-ethylcyclohexyl) 3-aminopropanoate is sourced from PubChem (CID 61276837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).