3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide

C7H15N3O3 — CID 76940149

IUPAC3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C7H15N3O3/c1-5(11)4-10(2)7(12)3-6(8)9-13/h5,11,13H,3-4H2,1-2H3,(H2,8,9)
InChIKeyODFCAUGLBJPCFR-UHFFFAOYSA-N
MW189.22 g/mol
LogP-1.04
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide

3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide (PubChem CID 76940149) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide
PubChem CID76940149
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Name3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide
SMILESCC(O)CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C7H15N3O3/c1-5(11)4-10(2)7(12)3-6(8)9-13/h5,11,13H,3-4H2,1-2H3,(H2,8,9)
InChIKeyODFCAUGLBJPCFR-UHFFFAOYSA-N
XLogP-1.04
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-1.04
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-N-(2-hydroxypropyl)-N-methylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide (CID 76940149) is 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide is CC(O)CN(C)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide?
The InChIKey is ODFCAUGLBJPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(11)4-10(2)7(12)3-6(8)9-13/h5,11,13H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide?
3-amino-3-hydroxyimino-N-(2-hydroxypropyl)-N-methylpropanamide has a molecular weight of 189.22 g/mol, XLogP of -1.04, 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-(2-hydroxypropyl)-N-methylpropanamide is sourced from PubChem (CID 76940149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).