2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide

C5H12N4O2 — CID 77029415

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

About 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide

2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide (PubChem CID 77029415) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide
PubChem CID77029415
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide
SMILESCC(NCC(N)=NO)C(N)=O
InChIInChI=1S/C5H12N4O2/c1-3(5(7)10)8-2-4(6)9-11/h3,8,11H,2H2,1H3,(H2,6,9)(H2,7,10)
InChIKeyRBGWISMYOIGMCE-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-[(2-amino-2-hydroxyiminoethyl)amino]propanamide?
The IUPAC name of 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide (CID 77029415) is 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide.
What is the SMILES notation for 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide?
The canonical SMILES for 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide is CC(NCC(N)=NO)C(N)=O.
What is the InChIKey of 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide?
The InChIKey is RBGWISMYOIGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-3(5(7)10)8-2-4(6)9-11/h3,8,11H,2H2,1H3,(H2,6,9)(H2,7,10).
What are the key properties of 2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide?
2-[(2-amino-2-hydroxyiminoethyl)amino]propanamide 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-[(2-amino-2-hydroxyiminoethyl)amino]propanamide is sourced from PubChem (CID 77029415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).