Boc-D-MeIle-OH

CAT: 0024-sc-293748Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293748Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

267223-87-0

Chemical Information

Boc-D-MeIle-OH

CAS Number	267223-87-0
PubChem CID	7019677
IUPAC Name	(2R,3R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Molecular Formula	C12H23NO4
Molecular Weight	245.32
XLogP	2.4
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	283

SMILES

CC[C@@H](C)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8-,9-/m1/s1

InChIKey

HTBIAUMDQYXOFG-RKDXNWHRSA-N

Chemical Structure

2D Structure

CAS: 267223-87-0

CID: 7019677

Formula: C12H23NO4

MW: 245.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.32
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	245.16270821
Monoisotopic Mass	245.16270821
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	283
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes