5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid

C13H14BrNO4 — CID 114243999

IUPAC5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C13H14BrNO4/c14-9-6-10-7(5-12(17)15-10)4-8(9)11(16)2-1-3-13(18)19/h4,6,11,16H,1-3,5H2,(H,15,17)(H,18,19)
InChIKeyBHOTVRKWFXFEKN-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.23
Rot. Bonds5

About 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid

5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid (PubChem CID 114243999) has the molecular formula C13H14BrNO4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid
PubChem CID114243999
Molecular FormulaC13H14BrNO4
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid
SMILESO=C(O)CCCC(O)c1cc2c(cc1Br)NC(=O)C2
InChIInChI=1S/C13H14BrNO4/c14-9-6-10-7(5-12(17)15-10)4-8(9)11(16)2-1-3-13(18)19/h4,6,11,16H,1-3,5H2,(H,15,17)(H,18,19)
InChIKeyBHOTVRKWFXFEKN-UHFFFAOYSA-N
XLogP2.23
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminohexyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243983
6-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-6-hydroxyhexanoic acid
CID 43447135
5-(1-amino-2-methylsulfonylethyl)-6-bromo-1,3-dihydroindol-2-one
CID 114243982
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666
(5R)-5-(2-bromo-4-ethoxyphenyl)-5-hydroxypentanoic acid
CID 114207347
2-[(6-bromo-2-oxo-1,3-dihydroindol-5-yl)sulfonyl-methylamino]propanoic acid
CID 83226385
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-bromo-N-(4-hydroxybutan-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83228406

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid?
The IUPAC name of 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid (CID 114243999) is 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid.
What is the SMILES notation for 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid?
The canonical SMILES for 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid is O=C(O)CCCC(O)c1cc2c(cc1Br)NC(=O)C2.
What is the InChIKey of 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid?
The InChIKey is BHOTVRKWFXFEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4/c14-9-6-10-7(5-12(17)15-10)4-8(9)11(16)2-1-3-13(18)19/h4,6,11,16H,1-3,5H2,(H,15,17)(H,18,19).
What are the key properties of 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid?
5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid has a molecular weight of 328.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-oxo-1,3-dihydroindol-5-yl)-5-hydroxypentanoic acid is sourced from PubChem (CID 114243999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).