Roxadustat Impurity 76

CAT: 1299-RM-R152476-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R152476-02Size:25 mg

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CAS Number

627-74-7

Synonyms

Ethyl glycylglycinate

Molecular Formula

C6H12N2O3

Molecular Weight

160.17

Target Alternative Name

Roxadustat

Product Name Synonym

Ethyl glycylglycinate

Chemical Information

Ethyl glycylglycinate

CAS Number	627-74-7
PubChem CID	124706
IUPAC Name	ethyl 2-[(2-aminoacetyl)amino]acetate
Molecular Formula	C6H12N2O3
Molecular Weight	160.17
XLogP	0.1
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

CCOC(=O)CNC(=O)CN

InChI

InChI=1S/C6H12N2O3/c1-2-11-6(10)4-8-5(9)3-7/h2-4,7H2,1H3,(H,8,9)

InChIKey

LFAVEINQLWIXRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 627-74-7

CID: 124706

Formula: C6H12N2O3

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	160.08479225
Monoisotopic Mass	160.08479225
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes