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

C10H11BrClNO2 — CID 117472463

IUPAC4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO2/c11-10-6(2-1-3-7(10)12)8(13)4-5-9(14)15/h1-3,8H,4-5,13H2,(H,14,15)
InChIKeyGBSYLXOMJCJMMH-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.97
Rot. Bonds4

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

4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid (PubChem CID 117472463) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
PubChem CID117472463
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
SMILESNC(CCC(=O)O)c1cccc(Cl)c1Br
InChIInChI=1S/C10H11BrClNO2/c11-10-6(2-1-3-7(10)12)8(13)4-5-9(14)15/h1-3,8H,4-5,13H2,(H,14,15)
InChIKeyGBSYLXOMJCJMMH-UHFFFAOYSA-N
XLogP2.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(2-bromo-4-chlorophenyl)butanoic acid
CID 117472459
4-amino-4-(2-aminophenyl)butanoic acid
CID 55297082
4-amino-4-(8-chloroquinolin-2-yl)butanoic acid
CID 82667028
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348
(1S)-1-(2-bromo-3-chlorophenyl)-2-methoxyethanamine
CID 130642924
4-amino-4-(2-chloro-4-fluorophenyl)butanoic acid
CID 84695091
4-amino-4-(2-chloro-6-methoxyphenyl)butanoic acid
CID 117361097
8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid
CID 165347390
4-amino-4-(3-hydroxy-2-methylsulfanylphenyl)butanoic acid
CID 117355517
4-amino-4-(3-bromo-2-fluoro-4-hydroxyphenyl)butanoic acid
CID 117471402
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
4-amino-4-(2,5-dichloro-4-fluorophenyl)butanoic acid
CID 117419042

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid?
The IUPAC name of 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid (CID 117472463) is 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid is NC(CCC(=O)O)c1cccc(Cl)c1Br.
What is the InChIKey of 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid?
The InChIKey is GBSYLXOMJCJMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c11-10-6(2-1-3-7(10)12)8(13)4-5-9(14)15/h1-3,8H,4-5,13H2,(H,14,15).
What are the key properties of 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid?
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid has a molecular weight of 292.56 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid is sourced from PubChem (CID 117472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).