4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid

C10H12BrNO3 — CID 82626071

IUPAC4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid
SMILESNCC(CC(=O)O)c1cccc(Br)c1O
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-2-7(10(8)15)6(5-12)4-9(13)14/h1-3,6,15H,4-5,12H2,(H,13,14)
InChIKeyFHBAASSVSKPJOY-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.67
Rot. Bonds4

About 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid

4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid (PubChem CID 82626071) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid
PubChem CID82626071
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid
SMILESNCC(CC(=O)O)c1cccc(Br)c1O
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-2-7(10(8)15)6(5-12)4-9(13)14/h1-3,6,15H,4-5,12H2,(H,13,14)
InChIKeyFHBAASSVSKPJOY-UHFFFAOYSA-N
XLogP1.67
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
4-amino-3-(2-tert-butylphenyl)butanoic acid
CID 84797586
4-amino-3-(1H-indol-7-yl)butanoic acid
CID 82614844
2-bromo-6-[(1R)-1,3-diaminopropyl]phenol
CID 130869295
4-amino-3-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714296
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
CID 66516952
3-(2-bromophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82135174
methyl 2-amino-2-(3-bromo-2-hydroxyphenyl)acetate
CID 130059952
2-bromo-6-propan-2-ylphenol
CID 14663965
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173
4-amino-3-(2-methylfuran-3-yl)butanoic acid
CID 82601605

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid (CID 82626071) is 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid is NCC(CC(=O)O)c1cccc(Br)c1O.
What is the InChIKey of 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid?
The InChIKey is FHBAASSVSKPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-3-1-2-7(10(8)15)6(5-12)4-9(13)14/h1-3,6,15H,4-5,12H2,(H,13,14).
What are the key properties of 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid?
4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid has a molecular weight of 274.11 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 82626071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).