3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide

C9H17N3O3 — CID 76927279

IUPAC3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCC1CCCOC1)=NO
InChIInChI=1S/C9H17N3O3/c10-8(12-14)4-9(13)11-5-7-2-1-3-15-6-7/h7,14H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyASKSAEZGCDKGEW-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.33
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide

3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide (PubChem CID 76927279) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
PubChem CID76927279
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCC1CCCOC1)=NO
InChIInChI=1S/C9H17N3O3/c10-8(12-14)4-9(13)11-5-7-2-1-3-15-6-7/h7,14H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyASKSAEZGCDKGEW-UHFFFAOYSA-N
XLogP-0.33
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.33
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

(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
1-(N'-hydroxycarbamimidoyl)-N-(oxan-3-ylmethyl)cycloheptane-1-carboxamide
CID 76927301
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(oxan-3-ylmethyl)butanamide
CID 113270817
N'-hydroxy-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
CID 125144166
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
CID 80588032
N-(oxan-3-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366642
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide (CID 76927279) is 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide is NC(CC(=O)NCC1CCCOC1)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is ASKSAEZGCDKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-8(12-14)4-9(13)11-5-7-2-1-3-15-6-7/h7,14H,1-6H2,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide?
3-amino-3-hydroxyimino-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.33, 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-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 76927279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).