tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate

C13H19NO3 — CID 7016462

IUPACtert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyIBDIOGYTZBKRGI-LLVKDONJSA-N
MW237.30 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate

tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate (PubChem CID 7016462) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
PubChem CID7016462
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyIBDIOGYTZBKRGI-LLVKDONJSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.24
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)-2-hydroxy-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate (CID 7016462) is tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate?
The InChIKey is IBDIOGYTZBKRGI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate?
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate is sourced from PubChem (CID 7016462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).