tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate

C12H24N2O3 — CID 63738041

IUPACtert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C1CCCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10(7-13)9-5-4-6-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOBMOTKZYQRJFBY-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.26
Rot. Bonds3

About tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate

tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate (PubChem CID 63738041) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate
PubChem CID63738041
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)C1CCCOC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10(7-13)9-5-4-6-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyOBMOTKZYQRJFBY-UHFFFAOYSA-N
XLogP1.26
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate (CID 63738041) is tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NC(CN)C1CCCOC1.
What is the InChIKey of tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate?
The InChIKey is OBMOTKZYQRJFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-10(7-13)9-5-4-6-16-8-9/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(oxan-3-yl)ethyl]carbamate is sourced from PubChem (CID 63738041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).