4-hydroxy-2-methylbutanehydrazide;hydrochloride

C5H13ClN2O2 — CID 146268568

IUPAC4-hydroxy-2-methylbutanehydrazide;hydrochloride
SMILESCC(CCO)C(=O)NN.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(2-3-8)5(9)7-6;/h4,8H,2-3,6H2,1H3,(H,7,9);1H
InChIKeyFKRIOWIKHSCAQI-UHFFFAOYSA-N
MW168.62 g/mol
LogP-0.58
Rot. Bonds3

About 4-hydroxy-2-methylbutanehydrazide;hydrochloride

4-hydroxy-2-methylbutanehydrazide;hydrochloride (PubChem CID 146268568) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 4-hydroxy-2-methylbutanehydrazide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-2-methylbutanehydrazide;hydrochloride
PubChem CID146268568
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name4-hydroxy-2-methylbutanehydrazide;hydrochloride
SMILESCC(CCO)C(=O)NN.Cl
InChIInChI=1S/C5H12N2O2.ClH/c1-4(2-3-8)5(9)7-6;/h4,8H,2-3,6H2,1H3,(H,7,9);1H
InChIKeyFKRIOWIKHSCAQI-UHFFFAOYSA-N
XLogP-0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentanehydrazide
CID 43183484
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
2-(4-hydroxybutan-2-ylsulfanyl)pentanehydrazide
CID 83047696
(2R)-2-methyl-4-oxopentanehydrazide
CID 166884818
2-methyl-3-methylsulfanylpropanehydrazide
CID 63580360
3-[2-hydroxyethyl(propyl)amino]-2-methylpropanehydrazide
CID 63583614
3-[1-hydroxypropan-2-yl(methyl)amino]-2-methylpropanehydrazide
CID 104556549
(2S)-4-hydroxy-2-methyl-N-(oxetan-3-yl)butanamide
CID 167208622
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-methylpropanehydrazide
CID 63585174
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 114801954

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbutanehydrazide;hydrochloride?
The IUPAC name of 4-hydroxy-2-methylbutanehydrazide;hydrochloride (CID 146268568) is 4-hydroxy-2-methylbutanehydrazide;hydrochloride.
What is the SMILES notation for 4-hydroxy-2-methylbutanehydrazide;hydrochloride?
The canonical SMILES for 4-hydroxy-2-methylbutanehydrazide;hydrochloride is CC(CCO)C(=O)NN.Cl.
What is the InChIKey of 4-hydroxy-2-methylbutanehydrazide;hydrochloride?
The InChIKey is FKRIOWIKHSCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c1-4(2-3-8)5(9)7-6;/h4,8H,2-3,6H2,1H3,(H,7,9);1H.
What are the key properties of 4-hydroxy-2-methylbutanehydrazide;hydrochloride?
4-hydroxy-2-methylbutanehydrazide;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbutanehydrazide;hydrochloride is sourced from PubChem (CID 146268568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).