Catalog No.:AA00KPBF

1009553-88-1 | 2,7-Dioxo-1,3-diazepane-4-carboxylic acid

Name: Name:2,7-Dioxo-1,3-diazepane-4-carboxylic acid
Brand: AABLOCKS
SKU: AA00KPBF
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00KPBF

Chemical Name:

2,7-Dioxo-1,3-diazepane-4-carboxylic acid

CAS Number:

1009553-88-1

Molecular Formula:

C6H8N2O4

Molecular Weight:

172.1387

MDL Number:

MFCD04240850

SMILES:

O=C1NC(=O)CCC(N1)C(=O)O

Properties

Computed Properties

Complexity:

238

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:1009553-88-1 Molecular Formula|1009553-88-1 MDL|1009553-88-1 SMILES|1009553-88-1 2,7-Dioxo-1,3-diazepane-4-carboxylic acid

Catalog No.: AA00KPBF

1009553-88-1 | 2,7-Dioxo-1,3-diazepane-4-carboxylic acid

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00KPBF

Chemical Name: 2,7-Dioxo-1,3-diazepane-4-carboxylic acid

CAS Number: 1009553-88-1

Molecular Formula: C6H8N2O4

Molecular Weight: 172.1387

MDL Number: MFCD04240850

SMILES: O=C1NC(=O)CCC(N1)C(=O)O

Properties

Complexity: 238

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 1

Undefined Bond Stereocenter Count: 0

XLogP3: -1.2

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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