2-amino-3-(4-bromophenoxy)propanoic acid

C9H10BrNO3 — CID 65443957

IUPAC2-amino-3-(4-bromophenoxy)propanoic acid
SMILESNC(COc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C9H10BrNO3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyFPJXAVTUSPPJEN-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.24
Rot. Bonds4

About 2-amino-3-(4-bromophenoxy)propanoic acid

2-amino-3-(4-bromophenoxy)propanoic acid (PubChem CID 65443957) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-amino-3-(4-bromophenoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-bromophenoxy)propanoic acid
PubChem CID65443957
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-amino-3-(4-bromophenoxy)propanoic acid
SMILESNC(COc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C9H10BrNO3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyFPJXAVTUSPPJEN-UHFFFAOYSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
(4S)-5-(4-bromophenoxy)-4-methylpentanamide
CID 167532767
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
CID 94771214
2-amino-3-(3-carbamoylphenoxy)propanoic acid
CID 65442579
3-[(4-bromophenoxy)methyl]pent-4-enoic acid
CID 70077242
propan-2-yl 4-(4-bromophenoxy)-2,3-dimethylbutanoate
CID 146594299
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
CID 84794175
(2S)-2-amino-3-[4-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]propanoic acid
CID 175327393
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
3-(4-aminophenoxy)-2-hydroxypropanoic acid
CID 166746246
2-amino-3-[(4-bromophenyl)methylsulfanyl]propanoic acid
CID 3289293

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromophenoxy)propanoic acid?
The IUPAC name of 2-amino-3-(4-bromophenoxy)propanoic acid (CID 65443957) is 2-amino-3-(4-bromophenoxy)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-bromophenoxy)propanoic acid?
The canonical SMILES for 2-amino-3-(4-bromophenoxy)propanoic acid is NC(COc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-bromophenoxy)propanoic acid?
The InChIKey is FPJXAVTUSPPJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(4-bromophenoxy)propanoic acid?
2-amino-3-(4-bromophenoxy)propanoic acid has a molecular weight of 260.09 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromophenoxy)propanoic acid is sourced from PubChem (CID 65443957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).