tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate

C14H28N2O3 — CID 155276116

IUPACtert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate
SMILESC[C@H]1[C@@H](CCN(C)C(=O)OC(C)(C)C)OCCN1C
InChIInChI=1S/C14H28N2O3/c1-11-12(18-10-9-15(11)5)7-8-16(6)13(17)19-14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyIGPLLVJZGMIDIF-NWDGAFQWSA-N
MW272.39 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate (PubChem CID 155276116) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate
PubChem CID155276116
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate
SMILESC[C@H]1[C@@H](CCN(C)C(=O)OC(C)(C)C)OCCN1C
InChIInChI=1S/C14H28N2O3/c1-11-12(18-10-9-15(11)5)7-8-16(6)13(17)19-14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyIGPLLVJZGMIDIF-NWDGAFQWSA-N
XLogP1.96
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate (CID 155276116) is tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate is C[C@H]1[C@@H](CCN(C)C(=O)OC(C)(C)C)OCCN1C.
What is the InChIKey of tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate?
The InChIKey is IGPLLVJZGMIDIF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-12(18-10-9-15(11)5)7-8-16(6)13(17)19-14(2,3)4/h11-12H,7-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate has a molecular weight of 272.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2R,3S)-3,4-dimethylmorpholin-2-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 155276116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).