tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate

C13H26N2O2 — CID 97174928

IUPACtert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
SMILESCC(C)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-10(3)11-7-15(8-11)12(16)17-13(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyYZJXUMKOGLLFBS-SNVBAGLBSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate

tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate (PubChem CID 97174928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
PubChem CID97174928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
SMILESCC(C)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-10(3)11-7-15(8-11)12(16)17-13(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyYZJXUMKOGLLFBS-SNVBAGLBSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[(1R)-3-hydroxy-1-(propan-2-ylamino)propyl]azetidine-1-carboxylate
CID 97174990
tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
CID 135396451
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[(1S)-1-[[(1S)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]azetidine-1-carboxylate
CID 100620224
tert-butyl 3-[1-(1,1-difluoropropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 107247336
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethanesulfinate
CID 58348292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate (CID 97174928) is tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate is CC(C)N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate?
The InChIKey is YZJXUMKOGLLFBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)14-10(3)11-7-15(8-11)12(16)17-13(4,5)6/h9-11,14H,7-8H2,1-6H3/t10-/m1/s1.
What are the key properties of tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate?
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate is sourced from PubChem (CID 97174928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).