tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate

C15H24N2O4 — CID 99909254

IUPACtert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(OC)c1[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-10(16)13-11(19-4)7-6-8-12(13)20-5/h6-8,10H,9,16H2,1-5H3,(H,17,18)/t10-/m0/s1
InChIKeyWWADMZWGIXYFLC-JTQLQIEISA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate

tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate (PubChem CID 99909254) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
PubChem CID99909254
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(OC)c1[C@@H](N)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-10(16)13-11(19-4)7-6-8-12(13)20-5/h6-8,10H,9,16H2,1-5H3,(H,17,18)/t10-/m0/s1
InChIKeyWWADMZWGIXYFLC-JTQLQIEISA-N
XLogP2.23
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
methyl 4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 51601300
tert-butyl N-[(2S)-2-amino-2-(3-iodophenyl)ethyl]carbamate
CID 99909259
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[4-(2,6-dimethoxyphenyl)-4-oxobutyl]carbamate
CID 102544236
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[3-(3-aminophenyl)-2-(2-methoxyphenyl)propyl]carbamate
CID 174734981
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
CID 76845177

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate (CID 99909254) is tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate is COc1cccc(OC)c1[C@@H](N)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate?
The InChIKey is WWADMZWGIXYFLC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-10(16)13-11(19-4)7-6-8-12(13)20-5/h6-8,10H,9,16H2,1-5H3,(H,17,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate?
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 99909254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).