D-Aspartic acid alpha-methyl ester

CAT: 0024-sc-285340Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-285340Size:1 g

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CAS Number

65414-78-0

Chemical Information

(3R)-3-amino-4-methoxy-4-oxobutanoic acid

CAS Number	65414-78-0
PubChem CID	7020023
IUPAC Name	(3R)-3-amino-4-methoxy-4-oxobutanoic acid
Molecular Formula	C5H9NO4
Molecular Weight	147.13
XLogP	-3.5
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	145

SMILES

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

InChI

InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m1/s1

InChIKey

SWWBMHIMADRNIK-GSVOUGTGSA-N

Chemical Structure

2D Structure

CAS: 65414-78-0

CID: 7020023

Formula: C5H9NO4

MW: 147.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.13
XLogP3	-3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	147.05315777
Monoisotopic Mass	147.05315777
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145
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
sc-294388	DL-Aspartic acid alpha-methyl ester
sc-294388A	DL-Aspartic acid alpha-methyl ester
sc-294233	D-Aspartic acid alpha-benzyl ester
sc-294233A	D-Aspartic acid alpha-benzyl ester
sc-285343A	D-Aspartic acid beta-methyl ester hydrochloride
sc-285343	D-Aspartic acid beta-methyl ester hydrochloride
sc-503132	D-Aspartic Acid 4-Methyl Ester Hydrochloride
sc-327741	Fmoc-alpha-methyl-D-aspartic acid
sc-326416	Boc-alpha-methyl-D-aspartic acid
sc-327741A	Fmoc-alpha-methyl-D-aspartic acid

Catalog	Name
260809-01	D-Aspartic acid a-methyl ester
445509-01	D-Aspartic Acid 1-Methyl Ester
260562-01	L-Aspartic acid alpha-methyl ester
260699-01	D-Aspartic acid alpha-benzyl ester
260706-01	DL-Aspartic acid alpha-methyl ester
162692	Aspartic Acid α-Methyl Ester
260698-01	D-Aspartic acid beta-methyl ester hydrochloride
XAA72889	D-Aspartic Acid 4-Methyl Ester Hydrochloride
237114-01	D-Aspartic acid a-methyl ester 98+% (HPLC)
265109-01	Benzoyl-L-aspartic acid alpha- methyl ester