H-Glu-OtBu

CAT: 0607-BA2420-500000Size: 500 gDry Ice: NoHazardous: No

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CAT#:0607-BA2420-500000Size:500 g

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CAS Number

45120-30-7

Form

A solid

Molecular Formula

C9H17NO4

Molecular Weight

203.24

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-(1,1-Dimethylethyl) hydrogen L-glutamate

CAS Number	45120-30-7
PubChem CID	117505
IUPAC Name	(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Molecular Formula	C9H17NO4
Molecular Weight	203.24
XLogP	-2.2
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

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

InChI

InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m0/s1

InChIKey

QVAQMUAKTNUNLN-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 45120-30-7

CID: 117505

Formula: C9H17NO4

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	-2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	203.11575802
Monoisotopic Mass	203.11575802
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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
HY-20167	H-Glu (OtBu) -OtBu
HY-W018154-01	H-Glu-OtBu
4000156.0001	H-Glu (OtBu) -OtBu · HCl
E-1900.0005	H-Glu(OtBu)-OtBu · HCl
HY-20167A-01	H-Glu (OtBu) -OtBu (hydrochloride)
5-02709	H-Glu(OtBu)-OtBu·HCl
278420-01	H-Glu (OtBu) -OtBu.HCl
4025307.0005	H-D-Glu (OtBu) -OtBu · HCl
F-3165.0005	H-D-Glu(OtBu)-OtBu · HCl
451591-01	H-D-Glu (otbu) -otbu hcl