4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid

C7H9NO3 — CID 2760573

IUPAC4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC2CCCC12
InChIInChI=1S/C7H9NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h4-5H,1-3H2,(H,9,10)
InChIKeyKQTVLXDCOVTAKY-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.63
Rot. Bonds1

About 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid (PubChem CID 2760573) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid
PubChem CID2760573
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC2CCCC12
InChIInChI=1S/C7H9NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h4-5H,1-3H2,(H,9,10)
InChIKeyKQTVLXDCOVTAKY-UHFFFAOYSA-N
XLogP0.63
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid (CID 2760573) is 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid is O=C(O)C1=NOC2CCCC12.
What is the InChIKey of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The InChIKey is KQTVLXDCOVTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h4-5H,1-3H2,(H,9,10).
What are the key properties of 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 2760573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).