Roxadustat Impurity 77

CAT: 1299-RM-R152477-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R152477-02Size:25 mg

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CAS Number

6096-81-7

Synonyms

Dimethyl 2,2'-azanediyldiacetate

Molecular Formula

C6H11NO4

Molecular Weight

161.16

Target Alternative Name

Roxadustat

Product Name Synonym

Dimethyl 2,2'-azanediyldiacetate

Chemical Information

Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate

Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate is an alpha-amino acid ester.

CAS Number	6096-81-7
PubChem CID	428827
IUPAC Name	methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate
Molecular Formula	C6H11NO4
Molecular Weight	161.16
XLogP	-0.4
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

COC(=O)CNCC(=O)OC

InChI

InChI=1S/C6H11NO4/c1-10-5(8)3-7-4-6(9)11-2/h7H,3-4H2,1-2H3

InChIKey

VNYJDSJLCWDYJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6096-81-7

CID: 428827

Formula: C6H11NO4

MW: 161.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	161.06880783
Monoisotopic Mass	161.06880783
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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