(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one

C9H19NO2 — CID 88908613

IUPAC(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)C(C)(C)O
InChIInChI=1S/C9H19NO2/c1-8(2,3)7(11)6(10)9(4,5)12/h6,12H,10H2,1-5H3/t6-/m0/s1
InChIKeyQLQZKVMMVFLJHY-LURJTMIESA-N
MW173.26 g/mol
LogP0.70
Rot. Bonds2

About (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one

(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one (PubChem CID 88908613) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
PubChem CID88908613
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one
SMILESCC(C)(C)C(=O)[C@H](N)C(C)(C)O
InChIInChI=1S/C9H19NO2/c1-8(2,3)7(11)6(10)9(4,5)12/h6,12H,10H2,1-5H3/t6-/m0/s1
InChIKeyQLQZKVMMVFLJHY-LURJTMIESA-N
XLogP0.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-2,2,5,5-tetramethylhexan-3-one;ethane;molecular hydrogen
CID 177194382
4-ethyl-5-hydroxy-2,2,5-trimethylhexan-3-one
CID 131848438
lithium 2,2,6,6-tetramethyl-3,5-dioxoheptan-4-olate
CID 102304336
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-3-hydroxy-3-methylbutanoate
CID 88521805
4-amino-2,2-dimethylheptan-3-one
CID 116554671
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585
(4S)-4-amino-2,2,7,7-tetramethyloctan-3-one
CID 167383271
(2R)-2-amino-N-cyclopentyl-3-hydroxy-3-methylbutanamide
CID 67225078
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
CID 57426035
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one?
The IUPAC name of (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one (CID 88908613) is (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one.
What is the SMILES notation for (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one?
The canonical SMILES for (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one is CC(C)(C)C(=O)[C@H](N)C(C)(C)O.
What is the InChIKey of (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one?
The InChIKey is QLQZKVMMVFLJHY-LURJTMIESA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2,3)7(11)6(10)9(4,5)12/h6,12H,10H2,1-5H3/t6-/m0/s1.
What are the key properties of (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one?
(4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one has a molecular weight of 173.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-hydroxy-2,2,5-trimethylhexan-3-one is sourced from PubChem (CID 88908613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).