2-formyl-N'-hydroxybutanediamide

C5H8N2O4 — CID 174449335

IUPAC2-formyl-N'-hydroxybutanediamide
SMILESNC(=O)C(C=O)CC(=O)NO
InChIInChI=1S/C5H8N2O4/c6-5(10)3(2-8)1-4(9)7-11/h2-3,11H,1H2,(H2,6,10)(H,7,9)
InChIKeyBHTUQDRDZMYJMO-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.82
Rot. Bonds4

About 2-formyl-N'-hydroxybutanediamide

2-formyl-N'-hydroxybutanediamide (PubChem CID 174449335) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-formyl-N'-hydroxybutanediamide.

Molecular Properties

Compound Name2-formyl-N'-hydroxybutanediamide
PubChem CID174449335
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2-formyl-N'-hydroxybutanediamide
SMILESNC(=O)C(C=O)CC(=O)NO
InChIInChI=1S/C5H8N2O4/c6-5(10)3(2-8)1-4(9)7-11/h2-3,11H,1H2,(H2,6,10)(H,7,9)
InChIKeyBHTUQDRDZMYJMO-UHFFFAOYSA-N
XLogP-1.82
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-formyl-N'-hydroxybutanediamide?
The IUPAC name of 2-formyl-N'-hydroxybutanediamide (CID 174449335) is 2-formyl-N'-hydroxybutanediamide.
What is the SMILES notation for 2-formyl-N'-hydroxybutanediamide?
The canonical SMILES for 2-formyl-N'-hydroxybutanediamide is NC(=O)C(C=O)CC(=O)NO.
What is the InChIKey of 2-formyl-N'-hydroxybutanediamide?
The InChIKey is BHTUQDRDZMYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c6-5(10)3(2-8)1-4(9)7-11/h2-3,11H,1H2,(H2,6,10)(H,7,9).
What are the key properties of 2-formyl-N'-hydroxybutanediamide?
2-formyl-N'-hydroxybutanediamide has a molecular weight of 160.13 g/mol, XLogP of -1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N'-hydroxybutanediamide is sourced from PubChem (CID 174449335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).