N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide

C11H17N3O4 — CID 114776829

IUPACN-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESCC1(C)CN(C(=O)C(=O)NCC#N)CC(CO)O1
InChIInChI=1S/C11H17N3O4/c1-11(2)7-14(5-8(6-15)18-11)10(17)9(16)13-4-3-12/h8,15H,4-7H2,1-2H3,(H,13,16)
InChIKeySWWGDNVQEUSKAK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.38
Rot. Bonds2

About N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide

N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide (PubChem CID 114776829) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
PubChem CID114776829
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
SMILESCC1(C)CN(C(=O)C(=O)NCC#N)CC(CO)O1
InChIInChI=1S/C11H17N3O4/c1-11(2)7-14(5-8(6-15)18-11)10(17)9(16)13-4-3-12/h8,15H,4-7H2,1-2H3,(H,13,16)
InChIKeySWWGDNVQEUSKAK-UHFFFAOYSA-N
XLogP-1.38
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)acetamide
CID 102743802
6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
CID 114776562
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
4-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]benzonitrile
CID 114776845
2-(ethylamino)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 114776678
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778552
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557199

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide?
The IUPAC name of N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide (CID 114776829) is N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide?
The canonical SMILES for N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide is CC1(C)CN(C(=O)C(=O)NCC#N)CC(CO)O1.
What is the InChIKey of N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide?
The InChIKey is SWWGDNVQEUSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2)7-14(5-8(6-15)18-11)10(17)9(16)13-4-3-12/h8,15H,4-7H2,1-2H3,(H,13,16).
What are the key properties of N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide?
N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide has a molecular weight of 255.27 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide is sourced from PubChem (CID 114776829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).