3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

C10H13N3O4 — CID 106394633

IUPAC3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ncon2)C1
InChIInChI=1S/C10H13N3O4/c14-9(11-4-8-12-5-17-13-8)6-1-2-7(3-6)10(15)16/h5-7H,1-4H2,(H,11,14)(H,15,16)
InChIKeyUNQWWUPOTHIJSR-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.19
Rot. Bonds4

About 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid

3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 106394633) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID106394633
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ncon2)C1
InChIInChI=1S/C10H13N3O4/c14-9(11-4-8-12-5-17-13-8)6-1-2-7(3-6)10(15)16/h5-7H,1-4H2,(H,11,14)(H,15,16)
InChIKeyUNQWWUPOTHIJSR-UHFFFAOYSA-N
XLogP0.19
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 106394633) is 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2ncon2)C1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is UNQWWUPOTHIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9(11-4-8-12-5-17-13-8)6-1-2-7(3-6)10(15)16/h5-7H,1-4H2,(H,11,14)(H,15,16).
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).