tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate

C16H33N3O3 — CID 102729910

IUPACtert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
SMILESCC1CN(C(CN)C(C)NC(=O)OC(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C16H33N3O3/c1-11-9-19(10-16(6,7)21-11)13(8-17)12(2)18-14(20)22-15(3,4)5/h11-13H,8-10,17H2,1-7H3,(H,18,20)
InChIKeyPDILOOZSFFJWFF-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.73
Rot. Bonds4

About tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate

tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate (PubChem CID 102729910) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
PubChem CID102729910
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Nametert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate
SMILESCC1CN(C(CN)C(C)NC(=O)OC(C)(C)C)CC(C)(C)O1
InChIInChI=1S/C16H33N3O3/c1-11-9-19(10-16(6,7)21-11)13(8-17)12(2)18-14(20)22-15(3,4)5/h11-13H,8-10,17H2,1-7H3,(H,18,20)
InChIKeyPDILOOZSFFJWFF-UHFFFAOYSA-N
XLogP1.73
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate (CID 102729910) is tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate is CC1CN(C(CN)C(C)NC(=O)OC(C)(C)C)CC(C)(C)O1.
What is the InChIKey of tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate?
The InChIKey is PDILOOZSFFJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-11-9-19(10-16(6,7)21-11)13(8-17)12(2)18-14(20)22-15(3,4)5/h11-13H,8-10,17H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate has a molecular weight of 315.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-(2,2,6-trimethylmorpholin-4-yl)butan-2-yl]carbamate is sourced from PubChem (CID 102729910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).