2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide

C6H14N4O2 — CID 77029843

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
SMILESCC(NC(C)C(N)=NO)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(5(7)10-12)9-4(2)6(8)11/h3-4,9,12H,1-2H3,(H2,7,10)(H2,8,11)
InChIKeyIXWLRGAMBAVHJA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.42
Rot. Bonds4

About 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide (PubChem CID 77029843) 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]propanamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
PubChem CID77029843
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide
SMILESCC(NC(C)C(N)=NO)C(N)=O
InChIInChI=1S/C6H14N4O2/c1-3(5(7)10-12)9-4(2)6(8)11/h3-4,9,12H,1-2H3,(H2,7,10)(H2,8,11)
InChIKeyIXWLRGAMBAVHJA-UHFFFAOYSA-N
XLogP-1.42
TPSA113.73 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 ≤ 5-1.42
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]propanamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide (CID 77029843) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide is CC(NC(C)C(N)=NO)C(N)=O.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
The InChIKey is IXWLRGAMBAVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3(5(7)10-12)9-4(2)6(8)11/h3-4,9,12H,1-2H3,(H2,7,10)(H2,8,11).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]propanamide has a molecular weight of 174.20 g/mol, XLogP of -1.42, 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]propanamide is sourced from PubChem (CID 77029843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).