(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate

C12H24N2O4 — CID 141457556

IUPAC(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)C(O)N1CCOCC1
InChIInChI=1S/C12H24N2O4/c1-9(18-11(16)13-12(2,3)4)10(15)14-5-7-17-8-6-14/h9-10,15H,5-8H2,1-4H3,(H,13,16)
InChIKeyZWNJIUMAXMGGHJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.55
Rot. Bonds3

About (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate

(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate (PubChem CID 141457556) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate
PubChem CID141457556
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate
SMILESCC(OC(=O)NC(C)(C)C)C(O)N1CCOCC1
InChIInChI=1S/C12H24N2O4/c1-9(18-11(16)13-12(2,3)4)10(15)14-5-7-17-8-6-14/h9-10,15H,5-8H2,1-4H3,(H,13,16)
InChIKeyZWNJIUMAXMGGHJ-UHFFFAOYSA-N
XLogP0.55
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The IUPAC name of (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate (CID 141457556) is (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate is CC(OC(=O)NC(C)(C)C)C(O)N1CCOCC1.
What is the InChIKey of (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate?
The InChIKey is ZWNJIUMAXMGGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(18-11(16)13-12(2,3)4)10(15)14-5-7-17-8-6-14/h9-10,15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate?
(1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-morpholin-4-ylpropan-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 141457556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).