3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C11H22N4O2 — CID 76920813

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,9(12)14-17)10(16)13-6-8-4-5-15(3)7-8/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyCWUGJGGDGVRYSZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.17
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 76920813) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID76920813
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CNC(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C11H22N4O2/c1-11(2,9(12)14-17)10(16)13-6-8-4-5-15(3)7-8/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyCWUGJGGDGVRYSZ-UHFFFAOYSA-N
XLogP-0.17
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61264835
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
2-amino-2-cyclopropyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 60856927
4-amino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 115157048
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 76950134
2-amino-2-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 60856275
2-amino-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119866874
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 76920812
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cycloheptane-1-carboxamide
CID 76920724

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 76920813) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CN1CCC(CNC(=O)C(C)(C)C(N)=NO)C1.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is CWUGJGGDGVRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-11(2,9(12)14-17)10(16)13-6-8-4-5-15(3)7-8/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 76920813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).