2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid

C11H12BrNO4 — CID 2787613

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H12BrNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyMAJFQXLXQDSVCT-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.42
Rot. Bonds5

About 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid

2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid (PubChem CID 2787613) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid
PubChem CID2787613
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C11H12BrNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyMAJFQXLXQDSVCT-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
[2-(Cyclopentylamino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2376778
2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
(S)-2-(4-bromophenoxy)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 44581696
4-Methyl-2-[(phenoxyacetyl)amino]pentanoic acid
CID 2770853
N-(phenoxyacetyl)glycine
CID 300109
2-(2-Phenoxyacetamido)propanoic acid
CID 2787611
N-[2-(3-bromophenoxy)ethyl]-2-butanamine oxalate
CID 2934139
N-{2-[2-(4-bromophenoxy)ethoxy]ethyl}-2-butanamine oxalate
CID 2934358
N-[2-(4-bromophenoxy)ethyl]-2-butanamine oxalate
CID 2934415
1-(4-Bromophenoxy)-3-(pentan-3-ylamino)propan-2-ol;oxalic acid
CID 16195735

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid (CID 2787613) is 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid is CC(NC(=O)COc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid?
The InChIKey is MAJFQXLXQDSVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c1-7(11(15)16)13-10(14)6-17-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid?
2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid has a molecular weight of 302.12 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 2787613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).