ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

C11H15NO3 — CID 7023599

IUPACethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
SMILESCCOC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)12-10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyGGXTXKPEZSYEOB-JTQLQIEISA-N
MW209.24 g/mol
LogP1.47
Rot. Bonds4

About ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate (PubChem CID 7023599) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
PubChem CID7023599
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
SMILESCCOC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-2-15-11(14)12-10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyGGXTXKPEZSYEOB-JTQLQIEISA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
2-hydroxyethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 107863811
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
2,2,2-trichloroethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 101490832
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The IUPAC name of ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate (CID 7023599) is ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The canonical SMILES for ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate is CCOC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
The InChIKey is GGXTXKPEZSYEOB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-11(14)12-10(8-13)9-6-4-3-5-7-9/h3-7,10,13H,2,8H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate?
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate has a molecular weight of 209.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate is sourced from PubChem (CID 7023599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).