N-hydroxy-2-(iodoamino)-4-methylpentanamide

C6H13IN2O2 — CID 88849243

IUPACN-hydroxy-2-(iodoamino)-4-methylpentanamide
SMILESCC(C)CC(NI)C(=O)NO
InChIInChI=1S/C6H13IN2O2/c1-4(2)3-5(8-7)6(10)9-11/h4-5,8,11H,3H2,1-2H3,(H,9,10)
InChIKeyBQVZKHWPSFULNM-UHFFFAOYSA-N
MW272.09 g/mol
LogP0.85
Rot. Bonds4

About N-hydroxy-2-(iodoamino)-4-methylpentanamide

N-hydroxy-2-(iodoamino)-4-methylpentanamide (PubChem CID 88849243) has the molecular formula C6H13IN2O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-hydroxy-2-(iodoamino)-4-methylpentanamide.

Molecular Properties

Compound NameN-hydroxy-2-(iodoamino)-4-methylpentanamide
PubChem CID88849243
Molecular FormulaC6H13IN2O2
Molecular Weight272.09 g/mol
Exact Mass272.00
IUPAC NameN-hydroxy-2-(iodoamino)-4-methylpentanamide
SMILESCC(C)CC(NI)C(=O)NO
InChIInChI=1S/C6H13IN2O2/c1-4(2)3-5(8-7)6(10)9-11/h4-5,8,11H,3H2,1-2H3,(H,9,10)
InChIKeyBQVZKHWPSFULNM-UHFFFAOYSA-N
XLogP0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
CID 87823358
CID 87823358
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-(hydroxyamino)-4-methylpentanamide
CID 14584858
(3R)-3-formyl-N-hydroxy-2,5-dimethylhexanamide
CID 57191637
N-hydroxy-2,4-dimethylhexanamide
CID 123944975
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(iodoamino)-4-methylpentanamide?
The IUPAC name of N-hydroxy-2-(iodoamino)-4-methylpentanamide (CID 88849243) is N-hydroxy-2-(iodoamino)-4-methylpentanamide.
What is the SMILES notation for N-hydroxy-2-(iodoamino)-4-methylpentanamide?
The canonical SMILES for N-hydroxy-2-(iodoamino)-4-methylpentanamide is CC(C)CC(NI)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(iodoamino)-4-methylpentanamide?
The InChIKey is BQVZKHWPSFULNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O2/c1-4(2)3-5(8-7)6(10)9-11/h4-5,8,11H,3H2,1-2H3,(H,9,10).
What are the key properties of N-hydroxy-2-(iodoamino)-4-methylpentanamide?
N-hydroxy-2-(iodoamino)-4-methylpentanamide has a molecular weight of 272.09 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(iodoamino)-4-methylpentanamide is sourced from PubChem (CID 88849243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).