methyl 2-amino-2-(4-bromophenyl)butanoate

C11H14BrNO2 — CID 60795428

IUPACmethyl 2-amino-2-(4-bromophenyl)butanoate
SMILESCCC(N)(C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-11(13,10(14)15-2)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3
InChIKeyOWTHGXVEBDZQNL-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-amino-2-(4-bromophenyl)butanoate

methyl 2-amino-2-(4-bromophenyl)butanoate (PubChem CID 60795428) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is methyl 2-amino-2-(4-bromophenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-bromophenyl)butanoate
PubChem CID60795428
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Namemethyl 2-amino-2-(4-bromophenyl)butanoate
SMILESCCC(N)(C(=O)OC)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-3-11(13,10(14)15-2)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3
InChIKeyOWTHGXVEBDZQNL-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromophenyl)-2-(methylamino)butanoate
CID 60787393
methyl 3-amino-3-(4-bromophenyl)pentanoate
CID 79848287
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479
2-amino-2-(4-bromophenyl)pentanoic acid
CID 83743848
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
methyl 2-(4-bromophenyl)-2-(prop-2-ynylamino)butanoate
CID 62365459
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079
methyl 2-amino-2-(4-chlorophenyl)-3-fluoropropanoate
CID 105490299
(2R)-2-amino-2-(4-methylphenyl)butanoic acid
CID 7046915

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-bromophenyl)butanoate?
The IUPAC name of methyl 2-amino-2-(4-bromophenyl)butanoate (CID 60795428) is methyl 2-amino-2-(4-bromophenyl)butanoate.
What is the SMILES notation for methyl 2-amino-2-(4-bromophenyl)butanoate?
The canonical SMILES for methyl 2-amino-2-(4-bromophenyl)butanoate is CCC(N)(C(=O)OC)c1ccc(Br)cc1.
What is the InChIKey of methyl 2-amino-2-(4-bromophenyl)butanoate?
The InChIKey is OWTHGXVEBDZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-11(13,10(14)15-2)8-4-6-9(12)7-5-8/h4-7H,3,13H2,1-2H3.
What are the key properties of methyl 2-amino-2-(4-bromophenyl)butanoate?
methyl 2-amino-2-(4-bromophenyl)butanoate has a molecular weight of 272.14 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-bromophenyl)butanoate is sourced from PubChem (CID 60795428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).