tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate

C10H20N2O3 — CID 97056703

IUPACtert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CNCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12(4)8-7-11-5-6-14-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPJMGMCGEGXNKTJ-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.80
Rot. Bonds1

About tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate

tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate (PubChem CID 97056703) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
PubChem CID97056703
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CNCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12(4)8-7-11-5-6-14-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPJMGMCGEGXNKTJ-QMMMGPOBSA-N
XLogP0.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate (CID 97056703) is tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CNCCO1.
What is the InChIKey of tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate?
The InChIKey is PJMGMCGEGXNKTJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12(4)8-7-11-5-6-14-8/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate?
tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2S)-morpholin-2-yl]carbamate is sourced from PubChem (CID 97056703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).