5-(2-bromoanilino)pentanoic acid

C11H14BrNO2 — CID 28972032

IUPAC5-(2-bromoanilino)pentanoic acid
SMILESO=C(O)CCCCNc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(14)15/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
InChIKeyOVNUQCSKZYBZFO-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.12
Rot. Bonds6

About 5-(2-bromoanilino)pentanoic acid

5-(2-bromoanilino)pentanoic acid (PubChem CID 28972032) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-(2-bromoanilino)pentanoic acid.

Molecular Properties

Compound Name5-(2-bromoanilino)pentanoic acid
PubChem CID28972032
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name5-(2-bromoanilino)pentanoic acid
SMILESO=C(O)CCCCNc1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(14)15/h1-2,5-6,13H,3-4,7-8H2,(H,14,15)
InChIKeyOVNUQCSKZYBZFO-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dibromoanilino)hexanoic acid
CID 107599094
5-anilinopentanoic acid
CID 28972030
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
6-(2-bromo-4-carbamoylanilino)hexanoic acid
CID 82796914
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)pentanoic acid?
The IUPAC name of 5-(2-bromoanilino)pentanoic acid (CID 28972032) is 5-(2-bromoanilino)pentanoic acid.
What is the SMILES notation for 5-(2-bromoanilino)pentanoic acid?
The canonical SMILES for 5-(2-bromoanilino)pentanoic acid is O=C(O)CCCCNc1ccccc1Br.
What is the InChIKey of 5-(2-bromoanilino)pentanoic acid?
The InChIKey is OVNUQCSKZYBZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-9-5-1-2-6-10(9)13-8-4-3-7-11(14)15/h1-2,5-6,13H,3-4,7-8H2,(H,14,15).
What are the key properties of 5-(2-bromoanilino)pentanoic acid?
5-(2-bromoanilino)pentanoic acid has a molecular weight of 272.14 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)pentanoic acid is sourced from PubChem (CID 28972032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).