tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate

C13H19NO3 — CID 56955758

IUPACtert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-12(16)17-13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyWOFCTRSNCBCJCV-SECBINFHSA-N
MW237.30 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate

tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate (PubChem CID 56955758) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
PubChem CID56955758
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-12(16)17-13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m1/s1
InChIKeyWOFCTRSNCBCJCV-SECBINFHSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-[3-[(Z)-C-chloro-N-hydroxycarbonimidoyl]phenyl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate (CID 56955758) is tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1cccc(O)c1.
What is the InChIKey of tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate?
The InChIKey is WOFCTRSNCBCJCV-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(10-6-5-7-11(15)8-10)14-12(16)17-13(2,3)4/h5-9,15H,1-4H3,(H,14,16)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 56955758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).