tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate

C14H20N2O2 — CID 130632560

IUPACtert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc([C@H]2CCN2)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-6-4-5-10(9-11)12-7-8-15-12/h4-6,9,12,15H,7-8H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyVBSHXJKNLUGPQJ-GFCCVEGCSA-N
MW248.33 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate

tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate (PubChem CID 130632560) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
PubChem CID130632560
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nametert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc([C@H]2CCN2)c1
InChIInChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-6-4-5-10(9-11)12-7-8-15-12/h4-6,9,12,15H,7-8H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyVBSHXJKNLUGPQJ-GFCCVEGCSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate (CID 130632560) is tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc([C@H]2CCN2)c1.
What is the InChIKey of tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate?
The InChIKey is VBSHXJKNLUGPQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-6-4-5-10(9-11)12-7-8-15-12/h4-6,9,12,15H,7-8H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate?
tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2R)-azetidin-2-yl]phenyl]carbamate is sourced from PubChem (CID 130632560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).