tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate

C13H18BrNO3 — CID 151826390

IUPACtert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeySDRZSNGNUGHJPW-NSHDSACASA-N
MW316.19 g/mol
LogP3.01
Rot. Bonds3

About tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate (PubChem CID 151826390) has the molecular formula C13H18BrNO3 and a molecular weight of 316.19 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
PubChem CID151826390
Molecular FormulaC13H18BrNO3
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Nametert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1Br
InChIInChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeySDRZSNGNUGHJPW-NSHDSACASA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174934082
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337
[(4S)-4-(2-bromophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] methanesulfonate
CID 59315610
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
CID 10728628
tert-butyl N-[(1R)-1-(2-fluoro-5-methylphenyl)-2-hydroxyethyl]carbamate
CID 69109171
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
tert-butyl N-[(1S)-1-(2-chloro-5-fluorophenyl)-2-hydroxyethyl]carbamate
CID 125497690
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate (CID 151826390) is tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)c1ccccc1Br.
What is the InChIKey of tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate?
The InChIKey is SDRZSNGNUGHJPW-NSHDSACASA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate?
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate has a molecular weight of 316.19 g/mol, XLogP of 3.01, 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)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 151826390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).