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

C11H11NO3 — CID 6934205

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1Cc2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyXBPWPQBDGZFHQI-SSDOTTSWSA-N
MW205.21 g/mol
LogP1.12
Rot. Bonds2

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

(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid (PubChem CID 6934205) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
PubChem CID6934205
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1Cc2ccccc2C1=O
InChIInChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyXBPWPQBDGZFHQI-SSDOTTSWSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.12
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)propanoic acid?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid (CID 6934205) is (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid is C[C@H](C(=O)O)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
The InChIKey is XBPWPQBDGZFHQI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid?
(2R)-2-(3-oxo-1H-isoindol-2-yl)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of 1.12, 2 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)propanoic acid is sourced from PubChem (CID 6934205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).