(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C8H8N2O4 — CID 137254593

IUPAC(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2nc(O)cc(=O)n21
InChIInChI=1S/C8H8N2O4/c11-6-3-7(12)10-4(8(13)14)1-2-5(10)9-6/h3-4,11H,1-2H2,(H,13,14)/t4-/m0/s1
InChIKeySAVWKNFITHWXMK-BYPYZUCNSA-N
MW196.16 g/mol
LogP-0.48
Rot. Bonds1

About (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 137254593) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID137254593
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2nc(O)cc(=O)n21
InChIInChI=1S/C8H8N2O4/c11-6-3-7(12)10-4(8(13)14)1-2-5(10)9-6/h3-4,11H,1-2H2,(H,13,14)/t4-/m0/s1
InChIKeySAVWKNFITHWXMK-BYPYZUCNSA-N
XLogP-0.48
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 137254593) is (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)[C@@H]1CCc2nc(O)cc(=O)n21.
What is the InChIKey of (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is SAVWKNFITHWXMK-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-3-7(12)10-4(8(13)14)1-2-5(10)9-6/h3-4,11H,1-2H2,(H,13,14)/t4-/m0/s1.
What are the key properties of (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
(6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 137254593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).