N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide

C11H21N3O4 — CID 113355691

IUPACN'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
SMILESCC(C)(C)OCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-7-9(15)14-4-5-17-8(6-14)10(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyKMWZCRQHWIZLKG-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.22
Rot. Bonds3

About N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide

N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide (PubChem CID 113355691) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
PubChem CID113355691
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide
SMILESCC(C)(C)OCC(=O)N1CCOC(C(N)=NO)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-7-9(15)14-4-5-17-8(6-14)10(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyKMWZCRQHWIZLKG-UHFFFAOYSA-N
XLogP-0.22
TPSA97.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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

4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboxylic acid
CID 112602092
N'-hydroxy-4-propanoylmorpholine-2-carboximidamide
CID 79680714
4-butanoyl-N'-hydroxymorpholine-2-carboximidamide
CID 79680443
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604041
N'-hydroxy-4-[2-(2-methylphenyl)acetyl]morpholine-2-carboximidamide
CID 79680355
N'-hydroxy-4-(5-methyloxolane-2-carbonyl)morpholine-2-carboximidamide
CID 81327620
N'-hydroxy-4-(oxane-4-carbonyl)morpholine-2-carboximidamide
CID 79680809
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
N'-hydroxy-4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]morpholine-2-carboximidamide
CID 79680718

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide (CID 113355691) is N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide is CC(C)(C)OCC(=O)N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide?
The InChIKey is KMWZCRQHWIZLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)18-7-9(15)14-4-5-17-8(6-14)10(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide has a molecular weight of 259.31 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-2-carboximidamide is sourced from PubChem (CID 113355691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).