methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride

C10H20ClNO2 — CID 69435032

IUPACmethyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
SMILESCOC(=O)[C@@](C)(N)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h8H,3-7,11H2,1-2H3;1H/t10-;/m0./s1
InChIKeyJNGGSKBBCZIZAD-PPHPATTJSA-N
MW221.73 g/mol
LogP1.88
Rot. Bonds2

About methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride

methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride (PubChem CID 69435032) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
PubChem CID69435032
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
SMILESCOC(=O)[C@@](C)(N)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h8H,3-7,11H2,1-2H3;1H/t10-;/m0./s1
InChIKeyJNGGSKBBCZIZAD-PPHPATTJSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate
CID 12993369
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
tert-butyl 2-amino-2-cyclopropylpropanoate
CID 18379175
tert-butyl 2,2-diamino-2-cyclohexylacetate
CID 70137368
(3-carbamoyloxy-2-cyclopentyl-2-methylpropyl) carbamate
CID 14363
(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]-2-methylpropanoate
CID 115128640
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
CID 87710370

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride (CID 69435032) is methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride is COC(=O)[C@@](C)(N)C1CCCCC1.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride?
The InChIKey is JNGGSKBBCZIZAD-PPHPATTJSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(11,9(12)13-2)8-6-4-3-5-7-8;/h8H,3-7,11H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride?
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride is sourced from PubChem (CID 69435032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).