2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid

C10H10BrNO4 — CID 19176585

IUPAC2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1ccccc1Br
InChIInChI=1S/C10H10BrNO4/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyRBHIYWWKLIDAIG-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.03
Rot. Bonds5

About 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid

2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid (PubChem CID 19176585) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
PubChem CID19176585
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Name2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)COc1ccccc1Br
InChIInChI=1S/C10H10BrNO4/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyRBHIYWWKLIDAIG-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
2-(2-bromophenoxy)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 60529897

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid (CID 19176585) is 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid is O=C(O)CNC(=O)COc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid?
The InChIKey is RBHIYWWKLIDAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4/c11-7-3-1-2-4-8(7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid?
2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid has a molecular weight of 288.10 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 19176585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).