4-amino-4-hydroxyiminobutanamide

C4H9N3O2 — CID 71436462

IUPAC4-amino-4-hydroxyiminobutanamide
SMILESNC(=O)CCC(N)=NO
InChIInChI=1S/C4H9N3O2/c5-3(7-9)1-2-4(6)8/h9H,1-2H2,(H2,5,7)(H2,6,8)
InChIKeyLDWMDKUOQWRIOV-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.00
Rot. Bonds3

About 4-amino-4-hydroxyiminobutanamide

4-amino-4-hydroxyiminobutanamide (PubChem CID 71436462) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-amino-4-hydroxyiminobutanamide.

Molecular Properties

Compound Name4-amino-4-hydroxyiminobutanamide
PubChem CID71436462
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC Name4-amino-4-hydroxyiminobutanamide
SMILESNC(=O)CCC(N)=NO
InChIInChI=1S/C4H9N3O2/c5-3(7-9)1-2-4(6)8/h9H,1-2H2,(H2,5,7)(H2,6,8)
InChIKeyLDWMDKUOQWRIOV-UHFFFAOYSA-N
XLogP-1.00
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

5-amino-5-hydroxyiminopentanamide
CID 57368861
4-amino-4-methyliminobutanamide
CID 87596187
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
bis(butanediamide);sulfur dioxide
CID 175182532
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
butanediamide;ethane;molecular hydrogen
CID 144732954
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
CID 150696785
2-[2-[(3-amino-3-hydroxyiminopropyl)amino]ethoxy]acetamide
CID 106237612
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-hydroxyiminobutanamide?
The IUPAC name of 4-amino-4-hydroxyiminobutanamide (CID 71436462) is 4-amino-4-hydroxyiminobutanamide.
What is the SMILES notation for 4-amino-4-hydroxyiminobutanamide?
The canonical SMILES for 4-amino-4-hydroxyiminobutanamide is NC(=O)CCC(N)=NO.
What is the InChIKey of 4-amino-4-hydroxyiminobutanamide?
The InChIKey is LDWMDKUOQWRIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c5-3(7-9)1-2-4(6)8/h9H,1-2H2,(H2,5,7)(H2,6,8).
What are the key properties of 4-amino-4-hydroxyiminobutanamide?
4-amino-4-hydroxyiminobutanamide has a molecular weight of 131.13 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-hydroxyiminobutanamide is sourced from PubChem (CID 71436462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).