tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate

C14H26N2O3 — CID 138014225

IUPACtert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1CNC[C@H]1CCCO1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-11(16)9-15-10-12-5-4-8-18-12/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyQKRWOWAPMXFUKS-PIJUOVFKSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds4

About tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate

tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate (PubChem CID 138014225) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
PubChem CID138014225
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC1CNC[C@H]1CCCO1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-11(16)9-15-10-12-5-4-8-18-12/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1
InChIKeyQKRWOWAPMXFUKS-PIJUOVFKSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633797
tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl 4-[2-(oxolan-2-ylmethylamino)ethoxy]piperidine-1-carboxylate
CID 107252367
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
tert-butyl 3-[2-(oxolan-2-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 107249811
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
tert-butyl 6-(oxolan-2-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238502
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate (CID 138014225) is tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC1CNC[C@H]1CCCO1.
What is the InChIKey of tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate?
The InChIKey is QKRWOWAPMXFUKS-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-6-11(16)9-15-10-12-5-4-8-18-12/h11-12,15H,4-10H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate?
tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[(2R)-oxolan-2-yl]methylamino]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 138014225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).