Boc-D-Leu-Ome

CAT: 0127-OR1012495-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1012495-01Size:5 g

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

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CAS Number

133467-01-3

MDL Number

MFCD29077643

Purity

97%

Smiles

COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C

Chemical Information

Boc-D-Leu-OMe

CAS Number	133467-01-3
PubChem CID	13995284
IUPAC Name	methyl (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Molecular Formula	C12H23NO4
Molecular Weight	245.32
XLogP	2.6
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	268

SMILES

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

InChI

InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m1/s1

InChIKey

QSEVMIMUBKMNOU-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 133467-01-3

CID: 13995284

Formula: C12H23NO4

MW: 245.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.32
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	245.16270821
Monoisotopic Mass	245.16270821
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes