ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride

C11H22ClNO2 — CID 67876797

IUPACethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyJYDHNGKVNHBPTE-PPHPATTJSA-N
MW235.75 g/mol
LogP2.27
Rot. Bonds4

About ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride

ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride (PubChem CID 67876797) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
PubChem CID67876797
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyJYDHNGKVNHBPTE-PPHPATTJSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137346923
tert-butyl 2-amino-3-cyclohexylpropanoate
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3-amino-4-cyclohexylbutan-2-one
CID 20668322
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
CID 138987441
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
2-methylpropyl 4-(2-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 67123498
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate;hydrochloride
CID 70060480

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride (CID 67876797) is ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride is CCOC(=O)[C@@H](N)CC1CCCCC1.Cl.
What is the InChIKey of ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride?
The InChIKey is JYDHNGKVNHBPTE-PPHPATTJSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h9-10H,2-8,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride?
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride is sourced from PubChem (CID 67876797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).