tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate

C11H23NO3 — CID 59026228

IUPACtert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
SMILESCCC(CC(=O)OC(C)(C)C)C(O)CN
InChIInChI=1S/C11H23NO3/c1-5-8(9(13)7-12)6-10(14)15-11(2,3)4/h8-9,13H,5-7,12H2,1-4H3
InChIKeyHUIQBOFQWGPUEO-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.06
Rot. Bonds5

About tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate

tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate (PubChem CID 59026228) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
PubChem CID59026228
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl 5-amino-3-ethyl-4-hydroxypentanoate
SMILESCCC(CC(=O)OC(C)(C)C)C(O)CN
InChIInChI=1S/C11H23NO3/c1-5-8(9(13)7-12)6-10(14)15-11(2,3)4/h8-9,13H,5-7,12H2,1-4H3
InChIKeyHUIQBOFQWGPUEO-UHFFFAOYSA-N
XLogP1.06
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate
CID 146082510
5-Amino-4-hydroxy-2-methylvaleric acid
CID 73824229
Tert-butyl 5-amino-5-fluoro-4-hydroxypentanoate
CID 57039837
5-Amino-4-hydroxy-3-methylvaleric acid
CID 76224748
Methyl 5-amino-4-hydroxypentanoate
CID 9898864
Tert-butyl 2-amino-4-hydroxy-3-methylpentanoate
CID 11310210
Tert-butyl 3,5-diamino-4-hydroxypentanoate
CID 57046294
Tert-butyl 5-amino-4-hydroxy-2-(hydroxymethyl)pentanoate
CID 58019718
5-Amino-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 58019719
tert-butyl (3R)-5-amino-3-(hydroxymethyl)pentanoate
CID 58234342
tert-butyl (3R)-3-(hydroxymethyl)-5-(2-methylpropylamino)pentanoate
CID 58234346
Tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate
CID 59026077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate?
The IUPAC name of tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate (CID 59026228) is tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate.
What is the SMILES notation for tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate?
The canonical SMILES for tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate is CCC(CC(=O)OC(C)(C)C)C(O)CN.
What is the InChIKey of tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate?
The InChIKey is HUIQBOFQWGPUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-8(9(13)7-12)6-10(14)15-11(2,3)4/h8-9,13H,5-7,12H2,1-4H3.
What are the key properties of tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate?
tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3-ethyl-4-hydroxypentanoate is sourced from PubChem (CID 59026228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).