tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate

C15H23NO3 — CID 102153759

IUPACtert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
SMILESC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyWIXVUEQGJZPUQE-YPMHNXCESA-N
MW265.35 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate

tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate (PubChem CID 102153759) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
PubChem CID102153759
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
SMILESC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyWIXVUEQGJZPUQE-YPMHNXCESA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate (CID 102153759) is tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate is C[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The InChIKey is WIXVUEQGJZPUQE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate is sourced from PubChem (CID 102153759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).