tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate

C14H21NO3 — CID 10911980

IUPACtert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3/t12-/m0/s1
InChIKeyHTFWJJKPBNISFN-LBPRGKRZSA-N
MW251.33 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate

tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate (PubChem CID 10911980) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate
PubChem CID10911980
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3/t12-/m0/s1
InChIKeyHTFWJJKPBNISFN-LBPRGKRZSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate (CID 10911980) is tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H](CO)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate?
The InChIKey is HTFWJJKPBNISFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15(4)12(10-16)11-8-6-5-7-9-11/h5-9,12,16H,10H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate?
tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]-N-methylcarbamate is sourced from PubChem (CID 10911980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).