N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide

C12H15N3O4 — CID 79680984

IUPACN'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)c2ccccc2O)CCO1
InChIInChI=1S/C12H15N3O4/c13-11(14-18)10-7-15(5-6-19-10)12(17)8-3-1-2-4-9(8)16/h1-4,10,16,18H,5-7H2,(H2,13,14)
InChIKeyAGWAXLFNIIJPSO-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.02
Rot. Bonds2

About N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide

N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide (PubChem CID 79680984) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
PubChem CID79680984
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C(=O)c2ccccc2O)CCO1
InChIInChI=1S/C12H15N3O4/c13-11(14-18)10-7-15(5-6-19-10)12(17)8-3-1-2-4-9(8)16/h1-4,10,16,18H,5-7H2,(H2,13,14)
InChIKeyAGWAXLFNIIJPSO-UHFFFAOYSA-N
XLogP-0.02
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
4-(2-iodobenzoyl)morpholine-2-carbothioamide
CID 79674398
N'-hydroxy-4-(5-methylthiophene-2-carbonyl)morpholine-2-carboximidamide
CID 79680609
4-(2-bromo-5-methoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670839
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
N'-hydroxy-4-(5-iodothiophene-3-carbonyl)morpholine-2-carboximidamide
CID 79683526
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide (CID 79680984) is N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide is NC(=NO)C1CN(C(=O)c2ccccc2O)CCO1.
What is the InChIKey of N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide?
The InChIKey is AGWAXLFNIIJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-11(14-18)10-7-15(5-6-19-10)12(17)8-3-1-2-4-9(8)16/h1-4,10,16,18H,5-7H2,(H2,13,14).
What are the key properties of N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide has a molecular weight of 265.27 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79680984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).