methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate

C11H15NO3 — CID 58297917

IUPACmethyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
SMILESCOC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-8-7-10(13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyRNBBSFVLNWUENG-SNVBAGLBSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate

methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate (PubChem CID 58297917) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
PubChem CID58297917
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
SMILESCOC(=O)NCC[C@@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-15-11(14)12-8-7-10(13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyRNBBSFVLNWUENG-SNVBAGLBSA-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 ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The IUPAC name of methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate (CID 58297917) is methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate.
What is the SMILES notation for methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The canonical SMILES for methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate is COC(=O)NCC[C@@H](O)c1ccccc1.
What is the InChIKey of methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The InChIKey is RNBBSFVLNWUENG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-15-11(14)12-8-7-10(13)9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,12,14)/t10-/m1/s1.
What are the key properties of methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate has a molecular weight of 209.25 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 methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate is sourced from PubChem (CID 58297917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).