3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

C8H17N3O4 — CID 76911313

IUPAC3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C8H17N3O4/c1-11(4-6(12)5-15-2)8(13)3-7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10)
InChIKeyRRPISPBAELKJHP-UHFFFAOYSA-N
MW219.24 g/mol
LogP-1.41
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide

3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (PubChem CID 76911313) has the molecular formula C8H17N3O4 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
PubChem CID76911313
Molecular FormulaC8H17N3O4
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
SMILESCOCC(O)CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C8H17N3O4/c1-11(4-6(12)5-15-2)8(13)3-7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10)
InChIKeyRRPISPBAELKJHP-UHFFFAOYSA-N
XLogP-1.41
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-1.41
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'}

Analyze 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide (CID 76911313) is 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide is COCC(O)CN(C)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
The InChIKey is RRPISPBAELKJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4/c1-11(4-6(12)5-15-2)8(13)3-7(9)10-14/h6,12,14H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide?
3-amino-3-hydroxyimino-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide has a molecular weight of 219.24 g/mol, XLogP of -1.41, 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-methylpropanamide is sourced from PubChem (CID 76911313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).