benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate

C16H17NO3 — CID 69136408

IUPACbenzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-12(14-9-5-6-10-15(14)18)17-16(19)20-11-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLNHTXHCBVXLFPA-GFCCVEGCSA-N
MW271.32 g/mol
LogP3.38
Rot. Bonds4

About benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate

benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate (PubChem CID 69136408) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
PubChem CID69136408
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namebenzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-12(14-9-5-6-10-15(14)18)17-16(19)20-11-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyLNHTXHCBVXLFPA-GFCCVEGCSA-N
XLogP3.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate (CID 69136408) is benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1O.
What is the InChIKey of benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate?
The InChIKey is LNHTXHCBVXLFPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(14-9-5-6-10-15(14)18)17-16(19)20-11-13-7-3-2-4-8-13/h2-10,12,18H,11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate?
benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-(2-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 69136408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).