3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide

C10H19N3O3 — CID 76920522

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(C(=O)NC1CCOCC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-10(2,8(11)13-15)9(14)12-7-3-5-16-6-4-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyUPQLROTXPQWLJZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide (PubChem CID 76920522) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide
PubChem CID76920522
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide
SMILESCC(C)(C(=O)NC1CCOCC1)C(N)=NO
InChIInChI=1S/C10H19N3O3/c1-10(2,8(11)13-15)9(14)12-7-3-5-16-6-4-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14)
InChIKeyUPQLROTXPQWLJZ-UHFFFAOYSA-N
XLogP0.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.05
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide (CID 76920522) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide is CC(C)(C(=O)NC1CCOCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide?
The InChIKey is UPQLROTXPQWLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,8(11)13-15)9(14)12-7-3-5-16-6-4-7/h7,15H,3-6H2,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-yl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 0.05, 3 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-(oxan-4-yl)propanamide is sourced from PubChem (CID 76920522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).