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

C6H14N4O2 — CID 77028579

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC(C)C(N)=NO
InChIInChI=1S/C6H14N4O2/c1-4(6(7)10-12)9-3-5(11)8-2/h4,9,12H,3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyDCTIXFAZNXZCEC-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.54
Rot. Bonds4

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

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide (PubChem CID 77028579) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide
PubChem CID77028579
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC(C)C(N)=NO
InChIInChI=1S/C6H14N4O2/c1-4(6(7)10-12)9-3-5(11)8-2/h4,9,12H,3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyDCTIXFAZNXZCEC-UHFFFAOYSA-N
XLogP-1.54
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.54
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-methylacetamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide (CID 77028579) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide is CNC(=O)CNC(C)C(N)=NO.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide?
The InChIKey is DCTIXFAZNXZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-4(6(7)10-12)9-3-5(11)8-2/h4,9,12H,3H2,1-2H3,(H2,7,10)(H,8,11).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide has a molecular weight of 174.20 g/mol, XLogP of -1.54, 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-methylacetamide is sourced from PubChem (CID 77028579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).