2-(2,6-dibromoanilino)butanoic acid

C10H11Br2NO2 — CID 107597732

IUPAC2-(2,6-dibromoanilino)butanoic acid
SMILESCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C10H11Br2NO2/c1-2-8(10(14)15)13-9-6(11)4-3-5-7(9)12/h3-5,8,13H,2H2,1H3,(H,14,15)
InChIKeyDYWPGPKZKCUPCQ-UHFFFAOYSA-N
MW337.01 g/mol
LogP3.49
Rot. Bonds4

About 2-(2,6-dibromoanilino)butanoic acid

2-(2,6-dibromoanilino)butanoic acid (PubChem CID 107597732) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)butanoic acid.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)butanoic acid
PubChem CID107597732
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name2-(2,6-dibromoanilino)butanoic acid
SMILESCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C10H11Br2NO2/c1-2-8(10(14)15)13-9-6(11)4-3-5-7(9)12/h3-5,8,13H,2H2,1H3,(H,14,15)
InChIKeyDYWPGPKZKCUPCQ-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
2-(2,4,6-tribromoanilino)butanoic acid
CID 64668151
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-[(5-bromoisoquinolin-1-yl)amino]butanoic acid
CID 106535952
methyl 2-(2-bromo-6-fluoroanilino)butanoate
CID 107598578
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
2-(2,6-dibromophenyl)butanoic acid
CID 130134758
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
(2R)-2-[3-(2-bromophenyl)prop-2-enoylamino]butanoic acid
CID 79023956
ethyl 3-(2,6-dibromoanilino)butanoate
CID 107598977
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)butanoic acid?
The IUPAC name of 2-(2,6-dibromoanilino)butanoic acid (CID 107597732) is 2-(2,6-dibromoanilino)butanoic acid.
What is the SMILES notation for 2-(2,6-dibromoanilino)butanoic acid?
The canonical SMILES for 2-(2,6-dibromoanilino)butanoic acid is CCC(Nc1c(Br)cccc1Br)C(=O)O.
What is the InChIKey of 2-(2,6-dibromoanilino)butanoic acid?
The InChIKey is DYWPGPKZKCUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-2-8(10(14)15)13-9-6(11)4-3-5-7(9)12/h3-5,8,13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(2,6-dibromoanilino)butanoic acid?
2-(2,6-dibromoanilino)butanoic acid has a molecular weight of 337.01 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)butanoic acid is sourced from PubChem (CID 107597732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).