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Boc-N-Me-Leu-OH

CAT: 0607-A6651-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6651-25000Size:25 g
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CAS Number
53363-89-6
Product Name Alternative
(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Purity
0.98
Solubility
insoluble in H2O; ≥40.2 mg/mL in EtOH; ≥43.3 mg/mL in DMSO
Smiles
CC(C)CC(C(=O)O)N(C)C(=O)OC(C)(C)C
Molecular Formula
C12H23NO4
Molecular Weight
245.32
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
CAS Number53363-89-6
PubChem CID7010555
IUPAC Name(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Molecular FormulaC12H23NO4
Molecular Weight245.32
XLogP2.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
CAS: 53363-89-6
CID: 7010555
Formula: C12H23NO4
MW: 245.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.32
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass245.16270821
Monoisotopic Mass245.16270821
Topological Polar Surface Area66.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
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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