Boc-L-MeNle-OH

CAT: 0024-sc-293854ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293854ASize:5 g

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CAS Number

117903-25-0

Chemical Information

Boc-N-Me-Nle-OH

CAS Number	117903-25-0
PubChem CID	7016367
IUPAC Name	(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Molecular Formula	C12H23NO4
Molecular Weight	245.32
XLogP	2.5
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

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

InChI

InChI=1S/C12H23NO4/c1-6-7-8-9(10(14)15)13(5)11(16)17-12(2,3)4/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1

InChIKey

HYGQYTQHPSQSFF-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 117903-25-0

CID: 7016367

Formula: C12H23NO4

MW: 245.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.32
XLogP3	2.5
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	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
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

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