(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

C9H9NO4 — CID 118106089

IUPAC(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cc(O)cc(=O)n21
InChIInChI=1S/C9H9NO4/c11-6-3-5-1-2-7(9(13)14)10(5)8(12)4-6/h3-4,7,11H,1-2H2,(H,13,14)/t7-/m0/s1
InChIKeyKXPARYIOMWVPPP-ZETCQYMHSA-N
MW195.17 g/mol
LogP0.13
Rot. Bonds1

About (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid

(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (PubChem CID 118106089) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
PubChem CID118106089
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2cc(O)cc(=O)n21
InChIInChI=1S/C9H9NO4/c11-6-3-5-1-2-7(9(13)14)10(5)8(12)4-6/h3-4,7,11H,1-2H2,(H,13,14)/t7-/m0/s1
InChIKeyKXPARYIOMWVPPP-ZETCQYMHSA-N
XLogP0.13
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The IUPAC name of (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid (CID 118106089) is (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid.
What is the SMILES notation for (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The canonical SMILES for (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is O=C(O)[C@@H]1CCc2cc(O)cc(=O)n21.
What is the InChIKey of (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
The InChIKey is KXPARYIOMWVPPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H9NO4/c11-6-3-5-1-2-7(9(13)14)10(5)8(12)4-6/h3-4,7,11H,1-2H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid?
(3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid is sourced from PubChem (CID 118106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).