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H-β-tBu-Ala-OH

CAT: 0121-4005692.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4005692.0001Size:1 g
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CAS Number
57224-50-7
Specifications
F-1315.0001
Synonyms
H-Neopentylgly-OH H-γ-Me-Leu-OH H-Tba-OH (S) -2-Amino-4,4-dimethyl-pentanoic acid
Sequence
H-β-tBu-Ala-OH
Molecular Formula
C₇H₁₅NO₂
Molecular Weight
145.20
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

(2S)-2-Amino-4,4-dimethylpentanoic acid

high lipophilicity; structure given in first source

CAS Number57224-50-7
PubChem CID194032
IUPAC Name(2S)-2-amino-4,4-dimethylpentanoic acid
Molecular FormulaC7H15NO2
Molecular Weight145.20
XLogP-1.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
CC(C)(C)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey
LPBSHGLDBQBSPI-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-Amino-4,4-dimethylpentanoic acid
CAS: 57224-50-7
CID: 194032
Formula: C7H15NO2
MW: 145.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.20
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass145.110278721
Monoisotopic Mass145.110278721
Topological Polar Surface Area63.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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