(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

C10H12N2O4 — CID 136951827

IUPAC(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(O)nc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O4/c1-2-5-8(13)11-7-4-3-6(10(15)16)12(7)9(5)14/h6,13H,2-4H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyGYOYBKLOZCNIJC-LURJTMIESA-N
MW224.22 g/mol
LogP0.08
Rot. Bonds2

About (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 136951827) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID136951827
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(O)nc2n(c1=O)[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O4/c1-2-5-8(13)11-7-4-3-6(10(15)16)12(7)9(5)14/h6,13H,2-4H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyGYOYBKLOZCNIJC-LURJTMIESA-N
XLogP0.08
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid (CID 136951827) is (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is CCc1c(O)nc2n(c1=O)[C@H](C(=O)O)CC2.
What is the InChIKey of (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is GYOYBKLOZCNIJC-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-5-8(13)11-7-4-3-6(10(15)16)12(7)9(5)14/h6,13H,2-4H2,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid?
(6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 136951827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).