tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate

C14H21NO3 — CID 129383215

IUPACtert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-10(11-5-7-12(16)8-6-11)9-15-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyYMRVBNKNTABOOZ-SNVBAGLBSA-N
MW251.33 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate

tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate (PubChem CID 129383215) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
PubChem CID129383215
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)c1ccc(O)cc1
InChIInChI=1S/C14H21NO3/c1-10(11-5-7-12(16)8-6-11)9-15-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyYMRVBNKNTABOOZ-SNVBAGLBSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
tert-butyl N-[2-[4-(2-methoxyethyl)phenyl]propyl]carbamate
CID 174316953
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
CID 174419381
tert-butyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170833086
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[3,4-dihydroxy-4-(4-hydroxyphenyl)butyl]carbamate
CID 171884279
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]benzoate
CID 139368736
tert-butyl N-[3-(cyanomethylamino)-2-(4-hydroxyphenyl)-3-oxopropyl]carbamate
CID 87994072
tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-[(2S)-2-(6-hydroxy-1H-indol-3-yl)propyl]carbamate
CID 70246888
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate (CID 129383215) is tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate?
The InChIKey is YMRVBNKNTABOOZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(11-5-7-12(16)8-6-11)9-15-13(17)18-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate?
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate is sourced from PubChem (CID 129383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).