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Methyl 3-Cyclohexyl-L-alaninate

CAT: 0572-TRC-M338345-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338345-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40056-18-6
Hazard Statement
No Data Available
Smiles
COC(=O)[C@@H](N)CC1CCCCC1
Molecular Formula
C10 H19 N O2
Molecular Weight
185.263
InChI
InChI=1S/C10H19NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3/t9-/m0/s1
Additionnal Information
IUPAC name: methyl (2S)-2-amino-3-cyclohexylpropanoate
Shipping Conditions
Room Temperature

Chemical Information

Methyl 3-cyclohexyl-L-alaninate
CAS Number40056-18-6
PubChem CID13833920
IUPAC Namemethyl (2S)-2-amino-3-cyclohexylpropanoate
Molecular FormulaC10H19NO2
Molecular Weight185.26
XLogP2.3
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity164
SMILES
COC(=O)[C@H](CC1CCCCC1)N
InChI
InChI=1S/C10H19NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h8-9H,2-7,11H2,1H3/t9-/m0/s1
InChIKey
XPEUJVMSARYTLS-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-cyclohexyl-L-alaninate
CAS: 40056-18-6
CID: 13833920
Formula: C10H19NO2
MW: 185.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.26
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass185.141578849
Monoisotopic Mass185.141578849
Topological Polar Surface Area52.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RG-A260428-01Methyl L-Alaninate
RG-A262788-01Methyl L-Alanyl-L-Alaninate
OR1041962-01Methyl benzyl-L-alaninate
OR1038719Methyl benzyl-L-alaninate hydrochloride
sc-269580Methyl N-Boc-3-chloro-L-alaninate
RG-A261849-01Methyl D-Alaninate
sc-269579Methyl N-Boc-3- (naphthalen-2-yl) -L-alaninate
sc-328874Methyl N- (oxomethylene) alaninate
GTR19275627-01Methyl N- (3-methoxy-3-oxopropyl) -N-methyl-beta-alaninate
sc-269458Methyl 3- (p-chlorophenyl) -beta-alaninate HCl

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