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Boc-N-Me-Val-OH

CAT: 0121-4001829.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4001829.0001Size:1 g
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CAS Number
45170-31-8
Specifications
A-2100.0001
Sequence
Boc-N-Me-Val-OH
Molecular Formula
C₁₁H₂₁NO₄
Molecular Weight
231.29
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Boc-N-methyl-L-valine
CAS Number45170-31-8
PubChem CID7010608
IUPAC Name(2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Molecular FormulaC11H21NO4
Molecular Weight231.29
XLogP2.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity268
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m0/s1
InChIKey
XPUAXAVJMJDPDH-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Boc-N-methyl-L-valine
CAS: 45170-31-8
CID: 7010608
Formula: C11H21NO4
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass231.14705815
Monoisotopic Mass231.14705815
Topological Polar Surface Area66.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity268
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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MBS405169-01Boc-N-Me-Val-OH
5-05505Boc-N-Me-Val-OH·DCHA
OR1102466-01Boc-N-Me-Orn (Boc, Me) -OH
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