tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate

C11H22N2O3 — CID 130681607

IUPACtert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
SMILESC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C11H22N2O3/c1-8-7-15-9(5-12-8)6-13-10(14)16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyRVWQQJZWYFQMMI-IUCAKERBSA-N
MW230.31 g/mol
LogP0.89
Rot. Bonds2

About tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate

tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate (PubChem CID 130681607) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
PubChem CID130681607
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
SMILESC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C11H22N2O3/c1-8-7-15-9(5-12-8)6-13-10(14)16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyRVWQQJZWYFQMMI-IUCAKERBSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate
CID 170917977
tert-butyl N-[[(2S,4S)-4-propanoyloxolan-2-yl]methyl]carbamate
CID 165468135
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
[(3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl] methanesulfonate
CID 138696976
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid
CID 167343907
tert-butyl N-[[(1S,2R,5S,6S)-2-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 67789897
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate (CID 130681607) is tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate is C[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)CN1.
What is the InChIKey of tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate?
The InChIKey is RVWQQJZWYFQMMI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-7-15-9(5-12-8)6-13-10(14)16-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 130681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).