Name: Name:4-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)-4-oxobutanoic acid
Brand: Angene
SKU: AG00C5X0
Rating: 90 (10 reviews)

4-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)-4-oxobutanoic acid

CAS No.:

337497-09-3

Catalog Number:

AG00C5X0

Molecular Formula:

C13H15NO5

Molecular Weight:

265.2619

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Purity

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Price(USD)

Quantity

95%

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United States

$168

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Product Description

Catalog Number:

AG00C5X0

Chemical Name:

4-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)-4-oxobutanoic acid

CAS Number:

337497-09-3

Molecular Formula:

C13H15NO5

Molecular Weight:

265.2619

MDL Number:

MFCD01100693

IUPAC Name:

4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-4-oxobutanoic acid

InChI:

InChI=1S/C13H15NO5/c15-12(5-6-13(16)17)14-7-9-8-18-10-3-1-2-4-11(10)19-9/h1-4,9H,5-8H2,(H,14,15)(H,16,17)

InChI Key:

HCGXNPQDNIEHBJ-UHFFFAOYSA-N

SMILES:

O=C(CCC(=O)O)NCC1COc2c(O1)cccc2

Properties

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.265g/mol

Monoisotopic Mass:

265.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties