tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate

C16H23NO3 — CID 10516662

IUPACtert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate
SMILESC[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-12-14(11-19-12)17(15(18)20-16(2,3)4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyVQFCVABQEPKJDB-TZMCWYRMSA-N
MW277.36 g/mol
LogP3.21
Rot. Bonds3

About tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate

tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate (PubChem CID 10516662) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate
PubChem CID10516662
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate
SMILESC[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO3/c1-12-14(11-19-12)17(15(18)20-16(2,3)4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14-/m1/s1
InChIKeyVQFCVABQEPKJDB-TZMCWYRMSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate?
The IUPAC name of tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate (CID 10516662) is tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate is C[C@H]1OC[C@H]1N(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate?
The InChIKey is VQFCVABQEPKJDB-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-14(11-19-12)17(15(18)20-16(2,3)4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate?
tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate has a molecular weight of 277.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-[(2R,3R)-2-methyloxetan-3-yl]carbamate is sourced from PubChem (CID 10516662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).