methyl N-(2-hydroxy-3-phenylpropyl)carbamate

C11H15NO3 — CID 56765249

IUPACmethyl N-(2-hydroxy-3-phenylpropyl)carbamate
SMILESCOC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-8-10(13)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)
InChIKeyJLUCYVACOPYPIG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.95
Rot. Bonds4

About methyl N-(2-hydroxy-3-phenylpropyl)carbamate

methyl N-(2-hydroxy-3-phenylpropyl)carbamate (PubChem CID 56765249) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl N-(2-hydroxy-3-phenylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-3-phenylpropyl)carbamate
PubChem CID56765249
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl N-(2-hydroxy-3-phenylpropyl)carbamate
SMILESCOC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-8-10(13)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)
InChIKeyJLUCYVACOPYPIG-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-3-phenylpropyl)carbamate?
The IUPAC name of methyl N-(2-hydroxy-3-phenylpropyl)carbamate (CID 56765249) is methyl N-(2-hydroxy-3-phenylpropyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxy-3-phenylpropyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxy-3-phenylpropyl)carbamate is COC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of methyl N-(2-hydroxy-3-phenylpropyl)carbamate?
The InChIKey is JLUCYVACOPYPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-11(14)12-8-10(13)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14).
What are the key properties of methyl N-(2-hydroxy-3-phenylpropyl)carbamate?
methyl N-(2-hydroxy-3-phenylpropyl)carbamate has a molecular weight of 209.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-3-phenylpropyl)carbamate is sourced from PubChem (CID 56765249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).