(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite

C6H12INO3 — CID 129035728

IUPAC(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite
SMILESCC(C)C(O)C(OI)C(N)=O
InChIInChI=1S/C6H12INO3/c1-3(2)4(9)5(11-7)6(8)10/h3-5,9H,1-2H3,(H2,8,10)
InChIKeyKVHJNEANOFFJGT-UHFFFAOYSA-N
MW273.07 g/mol
LogP0.22
Rot. Bonds4

About (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite

(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite (PubChem CID 129035728) has the molecular formula C6H12INO3 and a molecular weight of 273.07 g/mol. Its IUPAC name is (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite.

Molecular Properties

Compound Name(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite
PubChem CID129035728
Molecular FormulaC6H12INO3
Molecular Weight273.07 g/mol
Exact Mass272.99
IUPAC Name(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite
SMILESCC(C)C(O)C(OI)C(N)=O
InChIInChI=1S/C6H12INO3/c1-3(2)4(9)5(11-7)6(8)10/h3-5,9H,1-2H3,(H2,8,10)
InChIKeyKVHJNEANOFFJGT-UHFFFAOYSA-N
XLogP0.22
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-hydroxy-4-methyl-2-propan-2-ylpentanoate
CID 62397378
[(2R)-1-amino-3-methyl-1-oxobutan-2-yl] (2R)-2-hydroxy-3-methylbutanoate
CID 162816355
(2R,3S,4R,5R)-4-hydroxy-2,3,5,6-tetramethoxyhexanamide
CID 54343689
(2R,3R)-2-hydroxy-3-methoxybutanediamide
CID 131227841
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
dimethylphosphane;2-hydroxypropanamide
CID 174842276
3-hydroxy-2-iodobutanamide
CID 163523876
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025
2,3-dimethylbutanediamide
CID 55281411

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite?
The IUPAC name of (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite (CID 129035728) is (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite.
What is the SMILES notation for (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite?
The canonical SMILES for (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite is CC(C)C(O)C(OI)C(N)=O.
What is the InChIKey of (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite?
The InChIKey is KVHJNEANOFFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO3/c1-3(2)4(9)5(11-7)6(8)10/h3-5,9H,1-2H3,(H2,8,10).
What are the key properties of (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite?
(1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite has a molecular weight of 273.07 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-hydroxy-4-methyl-1-oxopentan-2-yl) hypoiodite is sourced from PubChem (CID 129035728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).