tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate

C15H23NO3 — CID 126713923

IUPACtert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
SMILESCc1ccc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10-6-8-12(9-7-10)13(17)11(2)16-14(18)19-15(3,4)5/h6-9,11,13,17H,1-5H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyOOCMIBFJEZTJBN-AAEUAGOBSA-N
MW265.35 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate

tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate (PubChem CID 126713923) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
PubChem CID126713923
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
SMILESCc1ccc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10-6-8-12(9-7-10)13(17)11(2)16-14(18)19-15(3,4)5/h6-9,11,13,17H,1-5H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyOOCMIBFJEZTJBN-AAEUAGOBSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
tert-butyl N-[methoxy-(4-methylphenyl)methyl]carbamate
CID 42600656
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
tert-butyl N-[(1S,2S)-1-(4-methylphenyl)-2-nitropropyl]carbamate
CID 135055962
tert-butyl N-[[(2S)-2-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamate
CID 100651422
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[3-[(4-methylphenyl)methyl]pentan-2-yl]carbamate
CID 177166633
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10193920
[(2R)-4-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl] acetate
CID 154715058
tert-butyl N-[diethoxyphosphoryl-(4-methylphenyl)methyl]carbamate
CID 10832165

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate (CID 126713923) is tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate is Cc1ccc([C@@H](O)[C@H](C)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate?
The InChIKey is OOCMIBFJEZTJBN-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-8-12(9-7-10)13(17)11(2)16-14(18)19-15(3,4)5/h6-9,11,13,17H,1-5H3,(H,16,18)/t11-,13-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate?
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 126713923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).