tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate

C14H28N2O3 — CID 24849264

IUPACtert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate
SMILESCNC[C@H](C[C@H]1CCCOC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-12(9-15-4)8-11-6-5-7-18-10-11/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeySGLXBTCVSYLULG-NEPJUHHUSA-N
MW272.39 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate (PubChem CID 24849264) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate
PubChem CID24849264
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate
SMILESCNC[C@H](C[C@H]1CCCOC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-12(9-15-4)8-11-6-5-7-18-10-11/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1
InChIKeySGLXBTCVSYLULG-NEPJUHHUSA-N
XLogP1.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate (CID 24849264) is tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate is CNC[C@H](C[C@H]1CCCOC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate?
The InChIKey is SGLXBTCVSYLULG-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-12(9-15-4)8-11-6-5-7-18-10-11/h11-12,15H,5-10H2,1-4H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(methylamino)-3-[(3R)-oxan-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 24849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).