tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate

C19H34N2O6 — CID 18925477

IUPACtert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)C(N)CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O6/c1-18(2,3)26-15(22)11-14(20)17(24)21-9-7-13(8-10-21)25-12-16(23)27-19(4,5)6/h13-14H,7-12,20H2,1-6H3
InChIKeyNMMSPEIXQIAZFU-UHFFFAOYSA-N
MW386.49 g/mol
LogP1.39
Rot. Bonds6

About tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate

tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate (PubChem CID 18925477) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
PubChem CID18925477
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Nametert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)COC1CCN(C(=O)C(N)CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O6/c1-18(2,3)26-15(22)11-14(20)17(24)21-9-7-13(8-10-21)25-12-16(23)27-19(4,5)6/h13-14H,7-12,20H2,1-6H3
InChIKeyNMMSPEIXQIAZFU-UHFFFAOYSA-N
XLogP1.39
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate (CID 18925477) is tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate is CC(C)(C)OC(=O)COC1CCN(C(=O)C(N)CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is NMMSPEIXQIAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O6/c1-18(2,3)26-15(22)11-14(20)17(24)21-9-7-13(8-10-21)25-12-16(23)27-19(4,5)6/h13-14H,7-12,20H2,1-6H3.
What are the key properties of tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate?
tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 386.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 18925477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).