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BOC-Leu-OH monohydrate

CAT: 0862-GK2576-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GK2576-100gSize:100 g
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CAS Number
13139-15-6
EC Number
236-073-2
MDL Number
MFCD00066067
HS Code
2924190090
Purity
98.00%
Molecular Formula
C11H21NO4 · H2O
Molecular Weight
249.31
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-

N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.

CAS Number13139-15-6
PubChem CID83170
IUPAC Name(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC11H21NO4
Molecular Weight231.29
XLogP2.2
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity255
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
MDXGYYOJGPFFJL-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
CAS: 13139-15-6
CID: 83170
Formula: C11H21NO4
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass231.14705815
Monoisotopic Mass231.14705815
Topological Polar Surface Area75.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity255
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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