tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate

C12H25NO3 — CID 59026077

IUPACtert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate
SMILESCCC(CC(=O)OC(C)(C)C)C(C)(O)CN
InChIInChI=1S/C12H25NO3/c1-6-9(12(5,15)8-13)7-10(14)16-11(2,3)4/h9,15H,6-8,13H2,1-5H3
InChIKeyLCWRCZLGPJIGIA-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.45
Rot. Bonds5

About tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate

tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate (PubChem CID 59026077) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate
PubChem CID59026077
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate
SMILESCCC(CC(=O)OC(C)(C)C)C(C)(O)CN
InChIInChI=1S/C12H25NO3/c1-6-9(12(5,15)8-13)7-10(14)16-11(2,3)4/h9,15H,6-8,13H2,1-5H3
InChIKeyLCWRCZLGPJIGIA-UHFFFAOYSA-N
XLogP1.45
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate?
The IUPAC name of tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate (CID 59026077) is tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate.
What is the SMILES notation for tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate?
The canonical SMILES for tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate is CCC(CC(=O)OC(C)(C)C)C(C)(O)CN.
What is the InChIKey of tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate?
The InChIKey is LCWRCZLGPJIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-9(12(5,15)8-13)7-10(14)16-11(2,3)4/h9,15H,6-8,13H2,1-5H3.
What are the key properties of tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate?
tert-butyl 5-amino-3-ethyl-4-hydroxy-4-methylpentanoate has a molecular weight of 231.34 g/mol, XLogP of 1.45, 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-hydroxy-4-methylpentanoate is sourced from PubChem (CID 59026077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).