tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate

C14H27N3O3 — CID 165341836

IUPACtert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1COCCN1C1CNC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-5-4-11-10-19-7-6-17(11)12-8-15-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyCRBDHILFISWUHA-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.57
Rot. Bonds4

About tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate

tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate (PubChem CID 165341836) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate
PubChem CID165341836
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1COCCN1C1CNC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-5-4-11-10-19-7-6-17(11)12-8-15-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyCRBDHILFISWUHA-UHFFFAOYSA-N
XLogP0.57
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate (CID 165341836) is tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1COCCN1C1CNC1.
What is the InChIKey of tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate?
The InChIKey is CRBDHILFISWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-5-4-11-10-19-7-6-17(11)12-8-15-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(azetidin-3-yl)morpholin-3-yl]ethyl]carbamate is sourced from PubChem (CID 165341836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).