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L-Homophenylalanine Methyl Ester

CAT: 0572-TRC-H600505-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H600505-100MGSize:100 mg
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CAS Number
106860-17-7
Synonyms
(S)-α-Aminobenzenebutanoic Acid Methyl Ester; (αS)-α-Aminobenzenebutanoic Methyl Ester
Hazard Statement
No Data Available
Smiles
COC([C@@H](N)CCC1=CC=CC=C1)=O
Molecular Formula
C11H15NO2
Molecular Weight
193.24
InChI
InChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
Additionnal Information
IUPAC name: methyl (S)-2-amino-4-phenylbutanoate
Shipping Conditions
Room Temperature

Chemical Information

(S)-methyl 2-amino-4-phenylbutanoate
CAS Number106860-17-7
PubChem CID10867190
IUPAC Namemethyl (2S)-2-amino-4-phenylbutanoate
Molecular FormulaC11H15NO2
Molecular Weight193.24
XLogP1.4
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity176
SMILES
COC(=O)[C@H](CCC1=CC=CC=C1)N
InChI
InChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKey
YEPNFOMBMXWUOG-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-methyl 2-amino-4-phenylbutanoate
CAS: 106860-17-7
CID: 10867190
Formula: C11H15NO2
MW: 193.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.24
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass193.110278721
Monoisotopic Mass193.110278721
Topological Polar Surface Area52.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity176
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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