2-(2,4,6-tribromoanilino)butanoic acid

C10H10Br3NO2 — CID 64668151

IUPAC2-(2,4,6-tribromoanilino)butanoic acid
SMILESCCC(Nc1c(Br)cc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H10Br3NO2/c1-2-8(10(15)16)14-9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16)
InChIKeyYERXHGAGAVMRCF-UHFFFAOYSA-N
MW415.91 g/mol
LogP4.25
Rot. Bonds4

About 2-(2,4,6-tribromoanilino)butanoic acid

2-(2,4,6-tribromoanilino)butanoic acid (PubChem CID 64668151) has the molecular formula C10H10Br3NO2 and a molecular weight of 415.91 g/mol. Its IUPAC name is 2-(2,4,6-tribromoanilino)butanoic acid.

Molecular Properties

Compound Name2-(2,4,6-tribromoanilino)butanoic acid
PubChem CID64668151
Molecular FormulaC10H10Br3NO2
Molecular Weight415.91 g/mol
Exact Mass412.83
IUPAC Name2-(2,4,6-tribromoanilino)butanoic acid
SMILESCCC(Nc1c(Br)cc(Br)cc1Br)C(=O)O
InChIInChI=1S/C10H10Br3NO2/c1-2-8(10(15)16)14-9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16)
InChIKeyYERXHGAGAVMRCF-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)butanoic acid
CID 107597732
N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
CID 77029373
2-methyl-3-(2,4,6-tribromoanilino)propanoic acid
CID 43538626
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
N-methyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126367
(2S)-4-methyl-2-[(2,4,6-tribromophenyl)carbamoylamino]pentanoic acid
CID 61184103
2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-(5-bromo-2-carbamoylanilino)butanoic acid
CID 114900890
ethyl 2-(4-bromo-2,6-difluoroanilino)butanoate
CID 65469572
3,5-dibromo-2-[[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 63112320
2-methyl-4-[(2,4,6-tribromophenyl)carbamoylamino]butanoic acid
CID 80540718
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-tribromoanilino)butanoic acid?
The IUPAC name of 2-(2,4,6-tribromoanilino)butanoic acid (CID 64668151) is 2-(2,4,6-tribromoanilino)butanoic acid.
What is the SMILES notation for 2-(2,4,6-tribromoanilino)butanoic acid?
The canonical SMILES for 2-(2,4,6-tribromoanilino)butanoic acid is CCC(Nc1c(Br)cc(Br)cc1Br)C(=O)O.
What is the InChIKey of 2-(2,4,6-tribromoanilino)butanoic acid?
The InChIKey is YERXHGAGAVMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO2/c1-2-8(10(15)16)14-9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16).
What are the key properties of 2-(2,4,6-tribromoanilino)butanoic acid?
2-(2,4,6-tribromoanilino)butanoic acid has a molecular weight of 415.91 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-tribromoanilino)butanoic acid is sourced from PubChem (CID 64668151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).