tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate

C15H25NO4 — CID 70046411

IUPACtert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate
SMILESCC(CCC(O)c1ccco1)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-10(13(16)14(18)20-15(2,3)4)7-8-11(17)12-6-5-9-19-12/h5-6,9-11,13,17H,7-8,16H2,1-4H3
InChIKeyCHVVJTRLCHDYIZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.40
Rot. Bonds6

About tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate

tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate (PubChem CID 70046411) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate
PubChem CID70046411
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate
SMILESCC(CCC(O)c1ccco1)C(N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-10(13(16)14(18)20-15(2,3)4)7-8-11(17)12-6-5-9-19-12/h5-6,9-11,13,17H,7-8,16H2,1-4H3
InChIKeyCHVVJTRLCHDYIZ-UHFFFAOYSA-N
XLogP2.40
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate?
The IUPAC name of tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate (CID 70046411) is tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate.
What is the SMILES notation for tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate?
The canonical SMILES for tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate is CC(CCC(O)c1ccco1)C(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate?
The InChIKey is CHVVJTRLCHDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(13(16)14(18)20-15(2,3)4)7-8-11(17)12-6-5-9-19-12/h5-6,9-11,13,17H,7-8,16H2,1-4H3.
What are the key properties of tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate?
tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate has a molecular weight of 283.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-6-(furan-2-yl)-6-hydroxy-3-methylhexanoate is sourced from PubChem (CID 70046411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).