3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide

C10H21N3O4 — CID 76921530

IUPAC3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O4/c1-10(2,8(11)12-16)9(15)13(3)5-7(14)6-17-4/h7,14,16H,5-6H2,1-4H3,(H2,11,12)
InChIKeyJOYVCXBKGKUDTK-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.78
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide

3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide (PubChem CID 76921530) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide
PubChem CID76921530
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O4/c1-10(2,8(11)12-16)9(15)13(3)5-7(14)6-17-4/h7,14,16H,5-6H2,1-4H3,(H2,11,12)
InChIKeyJOYVCXBKGKUDTK-UHFFFAOYSA-N
XLogP-0.78
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.78
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide (CID 76921530) is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide is COCC(O)CN(C)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide?
The InChIKey is JOYVCXBKGKUDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-10(2,8(11)12-16)9(15)13(3)5-7(14)6-17-4/h7,14,16H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide?
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide has a molecular weight of 247.29 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 76921530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).