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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Related Compounds

3-[5-(4-pentoxycyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099708
3-[5-(4-cyclohexyl-2-fluorocyclohexyl)-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099696
3-[5-[(4-chlorocyclohexyl)oxymethyl]-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099642
3-[5-[3-(2-chloro-6-fluorocyclohexyl)-5-methyl-1,2-oxazolidin-4-yl]-1,2,4-oxadiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 177099571
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(3R,4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-3-carboxylic acid
CID 131049059
4-[3-(4-carboxycyclohexyl)cyclohexyl]cyclohexane-1-carboxylic acid
CID 22445971
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid;acetic acid
CID 175499528
3-(2-boronocyclohexyl)cyclohexane-1-carboxylic acid
CID 140651366
bicyclo[4.1.0]heptane-3-carboxylic acid
CID 13203182
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
N-[(1R)-5-(5-cyclobutyl-1,2,4-oxadiazolidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 153424145

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).