(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid

C7H7NO3 — CID 124505358

IUPAC(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1Cc2cnoc2C1
InChIInChI=1S/C7H7NO3/c9-7(10)4-1-5-3-8-11-6(5)2-4/h3-4H,1-2H2,(H,9,10)/t4-/m0/s1
InChIKeyZPOUCQDMVHSWGG-BYPYZUCNSA-N
MW153.14 g/mol
LogP0.47
Rot. Bonds1

About (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid

(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid (PubChem CID 124505358) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid
PubChem CID124505358
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid
SMILESO=C(O)[C@H]1Cc2cnoc2C1
InChIInChI=1S/C7H7NO3/c9-7(10)4-1-5-3-8-11-6(5)2-4/h3-4H,1-2H2,(H,9,10)/t4-/m0/s1
InChIKeyZPOUCQDMVHSWGG-BYPYZUCNSA-N
XLogP0.47
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid?
The IUPAC name of (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid (CID 124505358) is (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid.
What is the SMILES notation for (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid?
The canonical SMILES for (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid is O=C(O)[C@H]1Cc2cnoc2C1.
What is the InChIKey of (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid?
The InChIKey is ZPOUCQDMVHSWGG-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(10)4-1-5-3-8-11-6(5)2-4/h3-4H,1-2H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid?
(5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-5-carboxylic acid is sourced from PubChem (CID 124505358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).