tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate

C12H24N2O3 — CID 58441909

IUPACtert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
SMILESC[C@@H](CN1CCOCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-10(9-14-5-7-16-8-6-14)13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyLCEOLFDEIRVGNS-JTQLQIEISA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds3

About tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate (PubChem CID 58441909) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
PubChem CID58441909
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
SMILESC[C@@H](CN1CCOCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-10(9-14-5-7-16-8-6-14)13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m0/s1
InChIKeyLCEOLFDEIRVGNS-JTQLQIEISA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
tert-butyl N-[(1R,2S)-2-bromo-1-cyclohexyl-3-morpholin-4-ylpropyl]carbamate
CID 46839009
tert-butyl N-[(1S,2R)-1-bromo-1-cyclohexyl-3-morpholin-4-ylpropan-2-yl]carbamate
CID 46838857
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-morpholin-4-ylpentanoic acid
CID 146596312
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
tert-butyl N-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-yl]carbamate
CID 174380521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate (CID 58441909) is tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate is C[C@@H](CN1CCOCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate?
The InChIKey is LCEOLFDEIRVGNS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(9-14-5-7-16-8-6-14)13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate is sourced from PubChem (CID 58441909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).