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(S) -beta3-phenylalanine

CAT: 0127-BICR106-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
40856-44-8
Synonyms
(S) -3-amino-3-phenylpropanoic acid
MDL Number
MFCD01076238
Smiles
N[C@@H](CC(=O)O)c1ccccc1
Storage Conditions
Store at -20°C

Chemical Information

(3S)-3-amino-3-phenylpropanoic acid

(S)-3-amino-3-phenylpropanoic acid is an optically active form of 3-amino-3-phenylpropanoic acid having S-configuration. It is an enantiomer of a (R)-3-amino-3-phenylpropanoic acid. It is a tautomer of a (S)-3-ammonio-3-phenylpropanoate.

CAS Number40856-44-8
PubChem CID686704
IUPAC Name(3S)-3-amino-3-phenylpropanoic acid
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP-1.4
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
C1=CC=C(C=C1)[C@H](CC(=O)O)N
InChI
InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey
UJOYFRCOTPUKAK-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-amino-3-phenylpropanoic acid
CAS: 40856-44-8
CID: 686704
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
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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