(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid

C16H13NO3 — CID 5308032

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPNOHRUSRGMQJPS-CQSZACIVSA-N
MW267.28 g/mol
LogP2.47
Rot. Bonds3

About (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid

(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid (PubChem CID 5308032) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
PubChem CID5308032
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
SMILESO=C(O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
InChIKeyPNOHRUSRGMQJPS-CQSZACIVSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid (CID 5308032) is (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid is O=C(O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
The InChIKey is PNOHRUSRGMQJPS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid?
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid has a molecular weight of 267.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid is sourced from PubChem (CID 5308032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).