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

C10H20N2O3 — CID 42556133

IUPACtert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyIYHJNCQAADULQE-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds2

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

tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate (PubChem CID 42556133) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
PubChem CID42556133
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CNCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyIYHJNCQAADULQE-QMMMGPOBSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
tert-butyl 3-(morpholin-2-ylmethylcarbamoyl)azetidine-1-carboxylate
CID 142435710
tert-butyl N-[[(2S,5S)-5-methylmorpholin-2-yl]methyl]carbamate
CID 130681607
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
tert-butyl N-(2,8-dioxa-5-azaspiro[3.5]nonan-7-ylmethyl)carbamate
CID 170917977
tert-butyl N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]carbamate
CID 99933957
benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
4-methyl-N-(morpholin-2-ylmethyl)pentanamide
CID 43603056
1-ethyl-1-methyl-3-(morpholin-2-ylmethyl)urea
CID 79160698
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
CID 68507128

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate (CID 42556133) is tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CNCCO1.
What is the InChIKey of tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate?
The InChIKey is IYHJNCQAADULQE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.50, 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)-morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 42556133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).