2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid

C11H14BrNO3 — CID 43753884

IUPAC2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H14BrNO3/c1-3-13-10(11(14)15)8-6-7(12)4-5-9(8)16-2/h4-6,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyWUTGDGXYLISXRC-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.19
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid

2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid (PubChem CID 43753884) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
PubChem CID43753884
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)c1cc(Br)ccc1OC
InChIInChI=1S/C11H14BrNO3/c1-3-13-10(11(14)15)8-6-7(12)4-5-9(8)16-2/h4-6,10,13H,3H2,1-2H3,(H,14,15)
InChIKeyWUTGDGXYLISXRC-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
ethyl 2-(5-bromo-2-methoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353678
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
2-(5-bromo-2-methoxyphenyl)-2-(2-fluoroanilino)acetic acid
CID 60993052
ethyl 2-[(5-bromo-2-methoxyphenyl)-hydroxymethyl]butanoate
CID 55071982
ethyl (2S)-2-(5-bromo-2-methoxyphenyl)-3-hydroxypropanoate
CID 102076818
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663924
ethyl (3R)-3-amino-3-(5-bromo-2-methoxyphenyl)-2-fluoropropanoate
CID 171240179
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid (CID 43753884) is 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid is CCNC(C(=O)O)c1cc(Br)ccc1OC.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid?
The InChIKey is WUTGDGXYLISXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-13-10(11(14)15)8-6-7(12)4-5-9(8)16-2/h4-6,10,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid?
2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid has a molecular weight of 288.14 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-(ethylamino)acetic acid is sourced from PubChem (CID 43753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).