N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide

C13H25N3O4 — CID 104969920

IUPACN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CC(CO)OC(C)(C)C1)C(N)=NO
InChIInChI=1S/C13H25N3O4/c1-8(2)10(11(14)15-19)12(18)16-5-9(6-17)20-13(3,4)7-16/h8-10,17,19H,5-7H2,1-4H3,(H2,14,15)
InChIKeyGYWTWYJVSBBQRH-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.00
Rot. Bonds4

About N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide

N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide (PubChem CID 104969920) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
PubChem CID104969920
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC NameN'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide
SMILESCC(C)C(C(=O)N1CC(CO)OC(C)(C)C1)C(N)=NO
InChIInChI=1S/C13H25N3O4/c1-8(2)10(11(14)15-19)12(18)16-5-9(6-17)20-13(3,4)7-16/h8-10,17,19H,5-7H2,1-4H3,(H2,14,15)
InChIKeyGYWTWYJVSBBQRH-UHFFFAOYSA-N
XLogP0.00
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.00
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

(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
N'-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboximidamide
CID 114780390
2-[3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]sulfanylacetamide
CID 114778946
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 106591897
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide?
The IUPAC name of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide (CID 104969920) is N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide.
What is the SMILES notation for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide?
The canonical SMILES for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide is CC(C)C(C(=O)N1CC(CO)OC(C)(C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide?
The InChIKey is GYWTWYJVSBBQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-8(2)10(11(14)15-19)12(18)16-5-9(6-17)20-13(3,4)7-16/h8-10,17,19H,5-7H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide?
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide has a molecular weight of 287.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-3-methylbutanimidamide is sourced from PubChem (CID 104969920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).