N-aminooxy-2-oxobutanamide;hydrochloride

C4H9ClN2O3 — CID 174371890

IUPACN-aminooxy-2-oxobutanamide;hydrochloride
SMILESCCC(=O)C(=O)NON.Cl
InChIInChI=1S/C4H8N2O3.ClH/c1-2-3(7)4(8)6-9-5;/h2,5H2,1H3,(H,6,8);1H
InChIKeyLSLVSYNDAZUHFR-UHFFFAOYSA-N
MW168.58 g/mol
LogP-0.69
Rot. Bonds3

About N-aminooxy-2-oxobutanamide;hydrochloride

N-aminooxy-2-oxobutanamide;hydrochloride (PubChem CID 174371890) has the molecular formula C4H9ClN2O3 and a molecular weight of 168.58 g/mol. Its IUPAC name is N-aminooxy-2-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-aminooxy-2-oxobutanamide;hydrochloride
PubChem CID174371890
Molecular FormulaC4H9ClN2O3
Molecular Weight168.58 g/mol
Exact Mass168.03
IUPAC NameN-aminooxy-2-oxobutanamide;hydrochloride
SMILESCCC(=O)C(=O)NON.Cl
InChIInChI=1S/C4H8N2O3.ClH/c1-2-3(7)4(8)6-9-5;/h2,5H2,1H3,(H,6,8);1H
InChIKeyLSLVSYNDAZUHFR-UHFFFAOYSA-N
XLogP-0.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-2-oxobutanamide
CID 143884065
2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
CID 123938959
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
methyl propanoate;dihydrochloride
CID 140968159
propanehydrazide;dihydrochloride
CID 121342206
heptane-2,4,5-trione
CID 19107182
propanamide;hydrate;hydrochloride
CID 19791604
methyl butanoate;tetrahydrochloride
CID 173289582
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
ethyl N-hydroxycarbamate
CID 11510
copper(1+);propanoate
CID 22149607
propanoate;uranium(4+)
CID 51035197

Frequently Asked Questions

What is the IUPAC name of N-aminooxy-2-oxobutanamide;hydrochloride?
The IUPAC name of N-aminooxy-2-oxobutanamide;hydrochloride (CID 174371890) is N-aminooxy-2-oxobutanamide;hydrochloride.
What is the SMILES notation for N-aminooxy-2-oxobutanamide;hydrochloride?
The canonical SMILES for N-aminooxy-2-oxobutanamide;hydrochloride is CCC(=O)C(=O)NON.Cl.
What is the InChIKey of N-aminooxy-2-oxobutanamide;hydrochloride?
The InChIKey is LSLVSYNDAZUHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.ClH/c1-2-3(7)4(8)6-9-5;/h2,5H2,1H3,(H,6,8);1H.
What are the key properties of N-aminooxy-2-oxobutanamide;hydrochloride?
N-aminooxy-2-oxobutanamide;hydrochloride has a molecular weight of 168.58 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-aminooxy-2-oxobutanamide;hydrochloride is sourced from PubChem (CID 174371890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).