cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate

C11H21NO3 — CID 66002192

IUPACcyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO3/c1-11(14,8-12)7-10(13)15-9-5-3-2-4-6-9/h9,14H,2-8,12H2,1H3
InChIKeyYQKPODBJPKKARJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds4

About cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate

cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate (PubChem CID 66002192) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Namecyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
PubChem CID66002192
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namecyclohexyl 4-amino-3-hydroxy-3-methylbutanoate
SMILESCC(O)(CN)CC(=O)OC1CCCCC1
InChIInChI=1S/C11H21NO3/c1-11(14,8-12)7-10(13)15-9-5-3-2-4-6-9/h9,14H,2-8,12H2,1H3
InChIKeyYQKPODBJPKKARJ-UHFFFAOYSA-N
XLogP0.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 66002585
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
oxetan-3-yl 4-amino-3-hydroxy-3-methylbutanoate
CID 102606699
dicyclohexyl 2,2-diethylbutanedioate
CID 175265226
cyclopentyl 3-amino-2-chloro-2-methylpropanoate
CID 175628072
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
cyclohenicosyl 4-acetyloxy-3,3-bis(acetyloxymethyl)butanoate
CID 59092825
cycloheptyl 6-amino-4,4-dimethylhexanoate
CID 65285477
cyclohexyl 2-tert-butylsulfanylacetate
CID 78840380
cyclohexyl propanoate;dihydrochloride
CID 172803130
lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
CID 175408310
cyclooctyl 7-aminoheptanoate
CID 21259475

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate (CID 66002192) is cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate is CC(O)(CN)CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is YQKPODBJPKKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(14,8-12)7-10(13)15-9-5-3-2-4-6-9/h9,14H,2-8,12H2,1H3.
What are the key properties of cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate?
cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 66002192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).