Roxadustat Impurity 75

CAT: 1299-RM-R152475-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R152475-02Size:25 mg

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CAS Number

31681-05-7

Synonyms

Methyl glycylglycylglycinate

Molecular Formula

C7H13N3O4

Molecular Weight

203.2

Target Alternative Name

Roxadustat

Product Name Synonym

Methyl glycylglycylglycinate

Chemical Information

Methyl glycylglycylglycinate

CAS Number	31681-05-7
PubChem CID	273332
IUPAC Name	methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
Molecular Formula	C7H13N3O4
Molecular Weight	203.20
XLogP	-2.1
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

COC(=O)CNC(=O)CNC(=O)CN

InChI

InChI=1S/C7H13N3O4/c1-14-7(13)4-10-6(12)3-9-5(11)2-8/h2-4,8H2,1H3,(H,9,11)(H,10,12)

InChIKey

DUZYSUKYVJGUBC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31681-05-7

CID: 273332

Formula: C7H13N3O4

MW: 203.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.20
XLogP3	-2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	203.09060590
Monoisotopic Mass	203.09060590
Topological Polar Surface Area	111 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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