2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid

C16H13NO3 — CID 92980378

IUPAC2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(19)10-14-12-8-4-5-9-13(12)16(20)17(14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)/t14-/m1/s1
InChIKeyIAMAZOQKJCFDLZ-CQSZACIVSA-N
MW267.28 g/mol
LogP2.86
Rot. Bonds3

About 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid

2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid (PubChem CID 92980378) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid
PubChem CID92980378
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1c2ccccc2C(=O)N1c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(19)10-14-12-8-4-5-9-13(12)16(20)17(14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)/t14-/m1/s1
InChIKeyIAMAZOQKJCFDLZ-CQSZACIVSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chlorophenyl)-3-oxo-1H-isoindol-1-yl]acetic acid
CID 19842258
2-(7-oxo-6-phenyl-5H-pyrrolo[3,4-b]pyridin-5-yl)acetic acid
CID 14815129
2-(5-oxo-6-phenyl-7H-pyrrolo[3,4-b]pyridin-7-yl)acetic acid
CID 53213909
2-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-1-yl]acetic acid
CID 22025480
2-(4-nitrophenyl)-3-(2-oxopropyl)-3H-isoindol-1-one
CID 53275939
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
3-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 134845714
(3S,4R)-4-hydroxy-2,3-diphenyl-3,4-dihydroisoquinolin-1-one
CID 12694467
benzyl 2-(5-methyl-3-oxo-2-phenyl-1H-isoindol-1-yl)acetate
CID 102261839
2-methyl-3-(2-oxopropyl)-3H-isoindol-1-one
CID 12648024
(3R,4R)-3-(4-iodophenyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 155815176
2-[(6aR)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]acetic acid
CID 99963175

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid?
The IUPAC name of 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid (CID 92980378) is 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid?
The canonical SMILES for 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid is O=C(O)C[C@@H]1c2ccccc2C(=O)N1c1ccccc1.
What is the InChIKey of 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid?
The InChIKey is IAMAZOQKJCFDLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(19)10-14-12-8-4-5-9-13(12)16(20)17(14)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid?
2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxo-2-phenyl-1H-isoindol-1-yl]acetic acid is sourced from PubChem (CID 92980378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).