(2-ethylcyclohexyl) 2-aminopropanoate

C11H21NO2 — CID 61277036

IUPAC(2-ethylcyclohexyl) 2-aminopropanoate
SMILESCCC1CCCCC1OC(=O)C(C)N
InChIInChI=1S/C11H21NO2/c1-3-9-6-4-5-7-10(9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3
InChIKeyMDRDIIWPZJIXLS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About (2-ethylcyclohexyl) 2-aminopropanoate

(2-ethylcyclohexyl) 2-aminopropanoate (PubChem CID 61277036) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-aminopropanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-aminopropanoate
PubChem CID61277036
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2-ethylcyclohexyl) 2-aminopropanoate
SMILESCCC1CCCCC1OC(=O)C(C)N
InChIInChI=1S/C11H21NO2/c1-3-9-6-4-5-7-10(9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3
InChIKeyMDRDIIWPZJIXLS-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61277251
(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686005
(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
CID 106109472
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
(2-ethylcyclohexyl) 4-methoxybutanoate
CID 78885705
(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
CID 66263376

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-aminopropanoate?
The IUPAC name of (2-ethylcyclohexyl) 2-aminopropanoate (CID 61277036) is (2-ethylcyclohexyl) 2-aminopropanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-aminopropanoate?
The canonical SMILES for (2-ethylcyclohexyl) 2-aminopropanoate is CCC1CCCCC1OC(=O)C(C)N.
What is the InChIKey of (2-ethylcyclohexyl) 2-aminopropanoate?
The InChIKey is MDRDIIWPZJIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-6-4-5-7-10(9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 2-aminopropanoate?
(2-ethylcyclohexyl) 2-aminopropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-aminopropanoate is sourced from PubChem (CID 61277036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).