3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 177099597

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C2NOC(C3CC3)N2)C1
InChIInChI=1S/C12H20N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h7-11,13-14H,1-6H2,(H,15,16)
InChIKeySEEAWODMZPTFSN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.06
Rot. Bonds3

About 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid

3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 177099597) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
PubChem CID177099597
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(C2NOC(C3CC3)N2)C1
InChIInChI=1S/C12H20N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h7-11,13-14H,1-6H2,(H,15,16)
InChIKeySEEAWODMZPTFSN-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid (CID 177099597) is 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(C2NOC(C3CC3)N2)C1.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is SEEAWODMZPTFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-12(16)9-3-1-2-8(6-9)10-13-11(17-14-10)7-4-5-7/h7-11,13-14H,1-6H2,(H,15,16).
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid?
3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 177099597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).