7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid

C7H8N2O3 — CID 98012205

IUPAC7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid
SMILESNc1cc(C(=O)O)n2c1OCC2
InChIInChI=1S/C7H8N2O3/c8-4-3-5(7(10)11)9-1-2-12-6(4)9/h3H,1-2,8H2,(H,10,11)
InChIKeyIJAPYVIQAHGCRT-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.16
Rot. Bonds1

About 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid

7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid (PubChem CID 98012205) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid.

Molecular Properties

Compound Name7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid
PubChem CID98012205
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid
SMILESNc1cc(C(=O)O)n2c1OCC2
InChIInChI=1S/C7H8N2O3/c8-4-3-5(7(10)11)9-1-2-12-6(4)9/h3H,1-2,8H2,(H,10,11)
InChIKeyIJAPYVIQAHGCRT-UHFFFAOYSA-N
XLogP0.16
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-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 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid?
The IUPAC name of 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid (CID 98012205) is 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid.
What is the SMILES notation for 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid?
The canonical SMILES for 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid is Nc1cc(C(=O)O)n2c1OCC2.
What is the InChIKey of 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid?
The InChIKey is IJAPYVIQAHGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-4-3-5(7(10)11)9-1-2-12-6(4)9/h3H,1-2,8H2,(H,10,11).
What are the key properties of 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid?
7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-5-carboxylic acid is sourced from PubChem (CID 98012205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).