2-(2,6-dibromoanilino)pentanoic acid

C11H13Br2NO2 — CID 107598874

IUPAC2-(2,6-dibromoanilino)pentanoic acid
SMILESCCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C11H13Br2NO2/c1-2-4-9(11(15)16)14-10-7(12)5-3-6-8(10)13/h3,5-6,9,14H,2,4H2,1H3,(H,15,16)
InChIKeyJJOASRFNYPRJRM-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.88
Rot. Bonds5

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

2-(2,6-dibromoanilino)pentanoic acid (PubChem CID 107598874) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)pentanoic acid.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)pentanoic acid
PubChem CID107598874
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2-(2,6-dibromoanilino)pentanoic acid
SMILESCCCC(Nc1c(Br)cccc1Br)C(=O)O
InChIInChI=1S/C11H13Br2NO2/c1-2-4-9(11(15)16)14-10-7(12)5-3-6-8(10)13/h3,5-6,9,14H,2,4H2,1H3,(H,15,16)
InChIKeyJJOASRFNYPRJRM-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
(2S)-2-anilinopentanoic acid
CID 22847649
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
(2R)-2-(2-bromo-4-methylanilino)pentanoic acid
CID 40788533
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)pentanoic acid?
The IUPAC name of 2-(2,6-dibromoanilino)pentanoic acid (CID 107598874) is 2-(2,6-dibromoanilino)pentanoic acid.
What is the SMILES notation for 2-(2,6-dibromoanilino)pentanoic acid?
The canonical SMILES for 2-(2,6-dibromoanilino)pentanoic acid is CCCC(Nc1c(Br)cccc1Br)C(=O)O.
What is the InChIKey of 2-(2,6-dibromoanilino)pentanoic acid?
The InChIKey is JJOASRFNYPRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-2-4-9(11(15)16)14-10-7(12)5-3-6-8(10)13/h3,5-6,9,14H,2,4H2,1H3,(H,15,16).
What are the key properties of 2-(2,6-dibromoanilino)pentanoic acid?
2-(2,6-dibromoanilino)pentanoic acid has a molecular weight of 351.04 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)pentanoic acid is sourced from PubChem (CID 107598874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).