2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide

C7H16N4O2 — CID 77031758

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)C(N)=NO
InChIInChI=1S/C7H16N4O2/c1-4(6(8)11-13)10-5(2)7(12)9-3/h4-5,10,13H,1-3H3,(H2,8,11)(H,9,12)
InChIKeyXIDLDBUWYQFARR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.15
Rot. Bonds4

About 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide (PubChem CID 77031758) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide
PubChem CID77031758
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(C)C(N)=NO
InChIInChI=1S/C7H16N4O2/c1-4(6(8)11-13)10-5(2)7(12)9-3/h4-5,10,13H,1-3H3,(H2,8,11)(H,9,12)
InChIKeyXIDLDBUWYQFARR-UHFFFAOYSA-N
XLogP-1.15
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
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 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide (CID 77031758) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)NC(C)C(N)=NO.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide?
The InChIKey is XIDLDBUWYQFARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-4(6(8)11-13)10-5(2)7(12)9-3/h4-5,10,13H,1-3H3,(H2,8,11)(H,9,12).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 77031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).