2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid

C11H23NO3 — CID 103267787

IUPAC2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(C)(C)CCO)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-5-6-9(10(14)15)12-11(2,3)7-8-13/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZQIKAYYPSBDVLT-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.38
Rot. Bonds8

About 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid

2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid (PubChem CID 103267787) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
PubChem CID103267787
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
SMILESCCCCC(NC(C)(C)CCO)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-5-6-9(10(14)15)12-11(2,3)7-8-13/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZQIKAYYPSBDVLT-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103266665
2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid
CID 83038793
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
2-(2,2-dimethylheptylamino)hexanoic acid
CID 103259108
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
calcium;hydride;2-methylhexanoic acid
CID 173227921
CID 87702087
CID 87702087
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]hexanoic acid
CID 113470663
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid (CID 103267787) is 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid is CCCCC(NC(C)(C)CCO)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
The InChIKey is ZQIKAYYPSBDVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-6-9(10(14)15)12-11(2,3)7-8-13/h9,12-13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid?
2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 103267787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).