Boc-DL-beta-leucine

CAT: 0024-sc-326443ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-326443ASize:5 g

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CAS Number

248924-39-2

Chemical Information

3-(((Tert-butoxy)carbonyl)amino)-4-methylpentanoic acid

CAS Number	248924-39-2
PubChem CID	4413769
IUPAC Name	4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular Formula	C11H21NO4
Molecular Weight	231.29
XLogP	1.8
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	255

SMILES

CC(C)C(CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO4/c1-7(2)8(6-9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)

InChIKey

LUXMZCJCTUATDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 248924-39-2

CID: 4413769

Formula: C11H21NO4

MW: 231.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.29
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	231.14705815
Monoisotopic Mass	231.14705815
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	255
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR452083-01	Boc-DL-leucine
265059-01	Boc-DL-leucine hydrate
OR932319-01	Boc-DL-tert-leucine
BJB65336	Boc-aza-DL-leucine
OR17575-01	DL-beta-Leucine
236272-01	Boc-DL-leucine hydrate 99+%
XDA53452-01	Boc-alpha-methyl-DL-leucine
OR452096-01	Boc-N-methyl-DL-Leucine
FAB42476-01	Boc-beta-methyl-DL-phenylalanine
OR307020	2-Methyl-DL-leucine, N-BOC protected