tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate

C15H23NO3 — CID 11254115

IUPACtert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate
SMILESC[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-12(16-14(17)19-15(2,3)4)10-18-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyQZPMIVWOVHTWFE-GFCCVEGCSA-N
MW265.35 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate

tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate (PubChem CID 11254115) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate
PubChem CID11254115
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate
SMILESC[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-12(16-14(17)19-15(2,3)4)10-18-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyQZPMIVWOVHTWFE-GFCCVEGCSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate (CID 11254115) is tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate is C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate?
The InChIKey is QZPMIVWOVHTWFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(16-14(17)19-15(2,3)4)10-18-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-phenylmethoxypropan-2-yl]carbamate is sourced from PubChem (CID 11254115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).