tert-butyl 2-amino-2-(4-bromophenyl)acetate

C12H16BrNO2 — CID 90487455

IUPACtert-butyl 2-amino-2-(4-bromophenyl)acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)10(14)8-4-6-9(13)7-5-8/h4-7,10H,14H2,1-3H3
InChIKeyMZTPJSRTMHPHFM-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl 2-amino-2-(4-bromophenyl)acetate

tert-butyl 2-amino-2-(4-bromophenyl)acetate (PubChem CID 90487455) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(4-bromophenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(4-bromophenyl)acetate
PubChem CID90487455
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Nametert-butyl 2-amino-2-(4-bromophenyl)acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)10(14)8-4-6-9(13)7-5-8/h4-7,10H,14H2,1-3H3
InChIKeyMZTPJSRTMHPHFM-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl 2-(4-bromophenyl)propanedioate
CID 57352041
CID 174697637
CID 174697637
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
2-amino-5-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 68729485
tert-butyl 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoate
CID 81358939
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
CID 67463487
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(4-bromophenyl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(4-bromophenyl)acetate (CID 90487455) is tert-butyl 2-amino-2-(4-bromophenyl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(4-bromophenyl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(4-bromophenyl)acetate is CC(C)(C)OC(=O)C(N)c1ccc(Br)cc1.
What is the InChIKey of tert-butyl 2-amino-2-(4-bromophenyl)acetate?
The InChIKey is MZTPJSRTMHPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)10(14)8-4-6-9(13)7-5-8/h4-7,10H,14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-(4-bromophenyl)acetate?
tert-butyl 2-amino-2-(4-bromophenyl)acetate has a molecular weight of 286.17 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(4-bromophenyl)acetate is sourced from PubChem (CID 90487455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).