2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid

C11H23NO3 — CID 103266665

IUPAC2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(C)(C)C(C)O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(10(14)15)12-11(3,4)8(2)13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyLVZPJFXJUCOXCX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.38
Rot. Bonds7

About 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid

2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid (PubChem CID 103266665) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
PubChem CID103266665
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(C)(C)C(C)O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-6-7-9(10(14)15)12-11(3,4)8(2)13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyLVZPJFXJUCOXCX-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103267787
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677
(2S)-2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107146485
calcium;hydride;2-methylhexanoic acid
CID 173227921
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 55009895
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
2-(methoxyamino)hexanoic acid
CID 103254320

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid (CID 103266665) is 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid is CCCCC(NC(C)(C)C(C)O)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The InChIKey is LVZPJFXJUCOXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-7-9(10(14)15)12-11(3,4)8(2)13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 103266665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).