2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid

C17H15NO4 — CID 3148952

IUPAC2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO4/c19-15(20)10-17(22)13-8-4-5-9-14(13)18(16(17)21)11-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,19,20)
InChIKeyLKEBDCHEEHJJIQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.90
Rot. Bonds4

About 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid

2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid (PubChem CID 3148952) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid
PubChem CID3148952
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid
SMILESO=C(O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO4/c19-15(20)10-17(22)13-8-4-5-9-14(13)18(16(17)21)11-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,19,20)
InChIKeyLKEBDCHEEHJJIQ-UHFFFAOYSA-N
XLogP1.90
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid (CID 3148952) is 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid is O=C(O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid?
The InChIKey is LKEBDCHEEHJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-15(20)10-17(22)13-8-4-5-9-14(13)18(16(17)21)11-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,19,20).
What are the key properties of 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid?
2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid has a molecular weight of 297.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-hydroxy-2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 3148952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).