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

C5H12N4O2 — CID 77028314

IUPAC2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide
SMILESCC(NCC(N)=O)C(N)=NO
InChIInChI=1S/C5H12N4O2/c1-3(5(7)9-11)8-2-4(6)10/h3,8,11H,2H2,1H3,(H2,6,10)(H2,7,9)
InChIKeyOQRJRKZCBAJEKX-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.80
Rot. Bonds4

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

2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide (PubChem CID 77028314) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide
PubChem CID77028314
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide
SMILESCC(NCC(N)=O)C(N)=NO
InChIInChI=1S/C5H12N4O2/c1-3(5(7)9-11)8-2-4(6)10/h3,8,11H,2H2,1H3,(H2,6,10)(H2,7,9)
InChIKeyOQRJRKZCBAJEKX-UHFFFAOYSA-N
XLogP-1.80
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.80
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]acetamide?
The IUPAC name of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide (CID 77028314) is 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide?
The canonical SMILES for 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide is CC(NCC(N)=O)C(N)=NO.
What is the InChIKey of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide?
The InChIKey is OQRJRKZCBAJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-3(5(7)9-11)8-2-4(6)10/h3,8,11H,2H2,1H3,(H2,6,10)(H2,7,9).
What are the key properties of 2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide?
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]acetamide has a molecular weight of 160.18 g/mol, XLogP of -1.80, 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]acetamide is sourced from PubChem (CID 77028314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).