(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one

C11H11NO3 — CID 102270408

IUPAC(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
SMILESCCC(=O)N1C(=O)c2ccccc2[C@H]1O
InChIInChI=1S/C11H11NO3/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6,10,14H,2H2,1H3/t10-/m1/s1
InChIKeyAYRRTQMNSDSDSQ-SNVBAGLBSA-N
MW205.21 g/mol
LogP1.07
Rot. Bonds1

About (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one

(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one (PubChem CID 102270408) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
PubChem CID102270408
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one
SMILESCCC(=O)N1C(=O)c2ccccc2[C@H]1O
InChIInChI=1S/C11H11NO3/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6,10,14H,2H2,1H3/t10-/m1/s1
InChIKeyAYRRTQMNSDSDSQ-SNVBAGLBSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one (CID 102270408) is (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one is CCC(=O)N1C(=O)c2ccccc2[C@H]1O.
What is the InChIKey of (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one?
The InChIKey is AYRRTQMNSDSDSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-9(13)12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6,10,14H,2H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one?
(3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one has a molecular weight of 205.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-propanoyl-3H-isoindol-1-one is sourced from PubChem (CID 102270408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).