Methyl 2-benzamidoacetate

CAT: 0926-FM154889-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FM154889-01Size:0.1 g

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CAS Number

1205-08-9

Smiles

COC (=O) CNC (=O) C1=CC=CC=C1

Molecular Formula

C10H11NO3

Molecular Weight

193.2 g/mol

Controlled

Chemical Information

Methyl hippurate

Methyl hippurate is a glycine derivative that is the methyl ester of hippuric acid. It has a role as a metabolite. It is a glycine derivative and a methyl ester. It is functionally related to a N-benzoylglycine.

CAS Number	1205-08-9
PubChem CID	14566
IUPAC Name	methyl 2-benzamidoacetate
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	0.8
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

COC(=O)CNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)

InChIKey

XTKVNQKOTKPCKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1205-08-9

CID: 14566

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
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

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Methyl 2-benzamidoacetate

Chemical Information

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