ethyl (2R)-3-amino-2-cyclohexylpropanoate

C11H21NO2 — CID 86315774

IUPACethyl (2R)-3-amino-2-cyclohexylpropanoate
SMILESCCOC(=O)[C@@H](CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyFGGNIJIRVZSZRQ-JTQLQIEISA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds4

About ethyl (2R)-3-amino-2-cyclohexylpropanoate

ethyl (2R)-3-amino-2-cyclohexylpropanoate (PubChem CID 86315774) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl (2R)-3-amino-2-cyclohexylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-amino-2-cyclohexylpropanoate
PubChem CID86315774
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl (2R)-3-amino-2-cyclohexylpropanoate
SMILESCCOC(=O)[C@@H](CN)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1
InChIKeyFGGNIJIRVZSZRQ-JTQLQIEISA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclohexyl-3-ethoxypropanoate
CID 66831061
ethyl 2-cyclohexyl-4-hydroxypentanoate
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diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-cyclopentylpropanoate
CID 10654733
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
ethyl 4-chloro-4-cyclohexyl-2-methyl-3-oxobutanoate
CID 57041187
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
ethyl 2-cyclohexyl-2-methylsulfonylacetate
CID 102551218
ethyl (2R)-2-cyclohexyl-2-ethylsulfonylacetate
CID 99991155
ethyl 2-(4-chlorocyclohexyl)butanoate
CID 174302983

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-amino-2-cyclohexylpropanoate?
The IUPAC name of ethyl (2R)-3-amino-2-cyclohexylpropanoate (CID 86315774) is ethyl (2R)-3-amino-2-cyclohexylpropanoate.
What is the SMILES notation for ethyl (2R)-3-amino-2-cyclohexylpropanoate?
The canonical SMILES for ethyl (2R)-3-amino-2-cyclohexylpropanoate is CCOC(=O)[C@@H](CN)C1CCCCC1.
What is the InChIKey of ethyl (2R)-3-amino-2-cyclohexylpropanoate?
The InChIKey is FGGNIJIRVZSZRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2R)-3-amino-2-cyclohexylpropanoate?
ethyl (2R)-3-amino-2-cyclohexylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-amino-2-cyclohexylpropanoate is sourced from PubChem (CID 86315774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).