sodium N-hydroxybutanamide

C4H9NNaO2+ — CID 54606142

IUPACsodium N-hydroxybutanamide
SMILESCCCC(=O)NO.[Na+]
InChIInChI=1S/C4H9NO2.Na/c1-2-3-4(6)5-7;/h7H,2-3H2,1H3,(H,5,6);/q;+1
InChIKeyBOCMVCLPPLUPSP-UHFFFAOYSA-N
MW126.11 g/mol
LogP-2.70
Rot. Bonds2

About sodium N-hydroxybutanamide

sodium N-hydroxybutanamide (PubChem CID 54606142) has the molecular formula C4H9NNaO2+ and a molecular weight of 126.11 g/mol. Its IUPAC name is sodium N-hydroxybutanamide.

Molecular Properties

Compound Namesodium N-hydroxybutanamide
PubChem CID54606142
Molecular FormulaC4H9NNaO2+
Molecular Weight126.11 g/mol
Exact Mass126.05
IUPAC Namesodium N-hydroxybutanamide
SMILESCCCC(=O)NO.[Na+]
InChIInChI=1S/C4H9NO2.Na/c1-2-3-4(6)5-7;/h7H,2-3H2,1H3,(H,5,6);/q;+1
InChIKeyBOCMVCLPPLUPSP-UHFFFAOYSA-N
XLogP-2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-2.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 sodium N-hydroxybutanamide?
The IUPAC name of sodium N-hydroxybutanamide (CID 54606142) is sodium N-hydroxybutanamide.
What is the SMILES notation for sodium N-hydroxybutanamide?
The canonical SMILES for sodium N-hydroxybutanamide is CCCC(=O)NO.[Na+].
What is the InChIKey of sodium N-hydroxybutanamide?
The InChIKey is BOCMVCLPPLUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.Na/c1-2-3-4(6)5-7;/h7H,2-3H2,1H3,(H,5,6);/q;+1.
What are the key properties of sodium N-hydroxybutanamide?
sodium N-hydroxybutanamide has a molecular weight of 126.11 g/mol, XLogP of -2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-hydroxybutanamide is sourced from PubChem (CID 54606142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).