Boc-Asp-OMe

CAT: 0024-sc-471585Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-471585Size:1 g

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CAS Number

59768-74-0

Chemical Information

(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

CAS Number	59768-74-0
PubChem CID	10977771
IUPAC Name	(2S)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Molecular Formula	C10H17NO6
Molecular Weight	247.24
XLogP	0.4
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	306

SMILES

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

InChI

InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1

InChIKey

WFPSMPYVXFVVFA-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 59768-74-0

CID: 10977771

Formula: C10H17NO6

MW: 247.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.24
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	247.10558726
Monoisotopic Mass	247.10558726
Topological Polar Surface Area	102 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306
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

Catalog	Name
5-05607	Boc-Asp-OMe
OR1038137-01	Boc-D-Asp-OMe
A-4655.0005	Boc-Asp(OMe)-OH
3254-v	Boc-Asp (OMe) -CH2F
HY-W007399-01	Boc-Asp (OMe) -OH
bs-75313C-01	Boc-Asp (OMe) -FMK
5311-AAT	BOC-Asp (OMe) -FMK [Boc-D (OMe) -FMK]
236077-01	Boc-Asp-OMe 98+% (HPLC)
GTR18919137-01	Boc-Asp (OMe) -fluoromethyl ketone
ZEA18467-01	Boc-D-Asp (OMe) -OH