tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate

C15H21NO3 — CID 10682971

IUPACtert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16(4)12-10-18-13(12)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3/t12-,13-/m1/s1
InChIKeyWZSPVPSUKUBHDQ-CHWSQXEVSA-N
MW263.34 g/mol
LogP2.99
Rot. Bonds2

About tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate

tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate (PubChem CID 10682971) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate
PubChem CID10682971
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CO[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16(4)12-10-18-13(12)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3/t12-,13-/m1/s1
InChIKeyWZSPVPSUKUBHDQ-CHWSQXEVSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate (CID 10682971) is tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CO[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate?
The InChIKey is WZSPVPSUKUBHDQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16(4)12-10-18-13(12)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate?
tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(2R,3R)-2-phenyloxetan-3-yl]carbamate is sourced from PubChem (CID 10682971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).