Creatinine Impurity 2

CAT: 1299-RM-C050902-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C050902-02Size:25 mg

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CAS Number

3190-71-4

Synonyms

Benzyl (S) -3- (2,5-dioxooxazolidin-4-yl) propanoate

Molecular Formula

C13H13NO5

Molecular Weight

263.25

Target Alternative Name

Creatinine

Product Name Synonym

Benzyl (S) -3- (2,5-dioxooxazolidin-4-yl) propanoate

Chemical Information

4-Oxazolidinepropanoic acid, 2,5-dioxo-, phenylmethyl ester, (4S)-

CAS Number	3190-71-4
PubChem CID	9813894
IUPAC Name	benzyl 3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanoate
Molecular Formula	C13H13NO5
Molecular Weight	263.25
XLogP	1.2
Topological Polar Surface Area	81.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	362

SMILES

C1=CC=C(C=C1)COC(=O)CC[C@H]2C(=O)OC(=O)N2

InChI

InChI=1S/C13H13NO5/c15-11(18-8-9-4-2-1-3-5-9)7-6-10-12(16)19-13(17)14-10/h1-5,10H,6-8H2,(H,14,17)/t10-/m0/s1

InChIKey

UGCBVSDSTGUPBC-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 3190-71-4

CID: 9813894

Formula: C13H13NO5

MW: 263.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.25
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	263.07937252
Monoisotopic Mass	263.07937252
Topological Polar Surface Area	81.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	362
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
RM-C050903-01	Creatinine Impurity 3
RM-C050901-01	Creatinine Impurity 1
RM-C050900-01	Creatinine
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-S060226-01	Sofosbuvir Impurity 2; Sofosbuvir Impurity V
RM-V192041-01	Valsartan Impurity 41; Sacubitril Impurity 2
RM-V192107-01	Valsartan Impurity 107; Amlodipine Impurity 2
RM-K200339-01	Ketoconazole Impurity 39; Itraconazole Impurity 2
RM-I231002-01	Ivacaftor Impurity 2
RM-L011802-01	Larotrectinib Impurity 2

Catalog	Name
1012	The Creatinine Companion (Creatinine Assay)
C271-5MG	Creatinine