3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide

C9H18N4O3 — CID 57365502

IUPAC3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide
SMILESNC(CC(=O)NCCN1CCOCC1)=NO
InChIInChI=1S/C9H18N4O3/c10-8(12-15)7-9(14)11-1-2-13-3-5-16-6-4-13/h15H,1-7H2,(H2,10,12)(H,11,14)
InChIKeyLQIPYAJIALGXLJ-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.43
Rot. Bonds5

About 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide

3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 57365502) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID57365502
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide
SMILESNC(CC(=O)NCCN1CCOCC1)=NO
InChIInChI=1S/C9H18N4O3/c10-8(12-15)7-9(14)11-1-2-13-3-5-16-6-4-13/h15H,1-7H2,(H2,10,12)(H,11,14)
InChIKeyLQIPYAJIALGXLJ-UHFFFAOYSA-N
XLogP-1.43
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.43
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-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide (CID 57365502) is 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide is NC(CC(=O)NCCN1CCOCC1)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is LQIPYAJIALGXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c10-8(12-15)7-9(14)11-1-2-13-3-5-16-6-4-13/h15H,1-7H2,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide?
3-amino-3-hydroxyimino-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 230.27 g/mol, XLogP of -1.43, 5 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-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 57365502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).