H-Asp-OMe 100g

CAT: 0628-A23743-100000Size: 100000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23743-100000Size:100000 mg

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CAS Number

17812-32-7

Chemical Information

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

CAS Number	17812-32-7
PubChem CID	6994682
IUPAC Name	(3S)-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-/m0/s1

InChIKey

SWWBMHIMADRNIK-VKHMYHEASA-N

Chemical Structure

2D Structure

CAS: 17812-32-7

CID: 6994682

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