N-hydroxyoxetane-3-carboxamide;hydrochloride

C4H8ClNO3 — CID 175042233

IUPACN-hydroxyoxetane-3-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1COC1
InChIInChI=1S/C4H7NO3.ClH/c6-4(5-7)3-1-8-2-3;/h3,7H,1-2H2,(H,5,6);1H
InChIKeyJRAKBXWCNDVMTM-UHFFFAOYSA-N
MW153.56 g/mol
LogP-0.44
Rot. Bonds1

About N-hydroxyoxetane-3-carboxamide;hydrochloride

N-hydroxyoxetane-3-carboxamide;hydrochloride (PubChem CID 175042233) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is N-hydroxyoxetane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxyoxetane-3-carboxamide;hydrochloride
PubChem CID175042233
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC NameN-hydroxyoxetane-3-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1COC1
InChIInChI=1S/C4H7NO3.ClH/c6-4(5-7)3-1-8-2-3;/h3,7H,1-2H2,(H,5,6);1H
InChIKeyJRAKBXWCNDVMTM-UHFFFAOYSA-N
XLogP-0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-hydroxyoxetane-3-carboxamide;hydrochloride?
The IUPAC name of N-hydroxyoxetane-3-carboxamide;hydrochloride (CID 175042233) is N-hydroxyoxetane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxyoxetane-3-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxyoxetane-3-carboxamide;hydrochloride is Cl.O=C(NO)C1COC1.
What is the InChIKey of N-hydroxyoxetane-3-carboxamide;hydrochloride?
The InChIKey is JRAKBXWCNDVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.ClH/c6-4(5-7)3-1-8-2-3;/h3,7H,1-2H2,(H,5,6);1H.
What are the key properties of N-hydroxyoxetane-3-carboxamide;hydrochloride?
N-hydroxyoxetane-3-carboxamide;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyoxetane-3-carboxamide;hydrochloride is sourced from PubChem (CID 175042233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).