(3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

C35H58N6O8 — CID 162199549

About (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

(3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 162199549) has the molecular formula C35H58N6O8 and a molecular weight of 690.88 g/mol. Its IUPAC name is (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

• Compound Name: (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
• PubChem CID: 162199549
• Molecular Formula: C35H58N6O8
• Molecular Weight: 690.88 g/mol
• Exact Mass: 690.43
• IUPAC Name: (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
• SMILES: CC(C)(C)OC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.NCc1noc(C(CCCC2CCCCC2)CC(=O)O)n1
• InChI: InChI=1S/C20H33N3O5.C15H25N3O3/c1-20(2,3)27-19(26)21-13-16-22-18(28-23-16)15(12-17(24)25)11-7-10-14-8-5-4-6-9-14;16-10-13-17-15(21-18-13)12(9-14(19)20)8-4-7-11-5-2-1-3-6-11/h14-15H,4-13H2,1-3H3,(H,21,26)(H,24,25);11-12H,1-10,16H2,(H,19,20)/t15-;/m1./s1
• InChIKey: ZRKAMJMRGSVVRP-XFULWGLBSA-N
• XLogP: 7.24
• TPSA: 216.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	690.88
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The IUPAC name of (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 162199549) is (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

What is the SMILES notation for (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The canonical SMILES for (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CC(C)(C)OC(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.NCc1noc(C(CCCC2CCCCC2)CC(=O)O)n1.

What is the InChIKey of (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

The InChIKey is ZRKAMJMRGSVVRP-XFULWGLBSA-N. The full InChI is InChI=1S/C20H33N3O5.C15H25N3O3/c1-20(2,3)27-19(26)21-13-16-22-18(28-23-16)15(12-17(24)25)11-7-10-14-8-5-4-6-9-14;16-10-13-17-15(21-18-13)12(9-14(19)20)8-4-7-11-5-2-1-3-6-11/h14-15H,4-13H2,1-3H3,(H,21,26)(H,24,25);11-12H,1-10,16H2,(H,19,20)/t15-;/m1./s1.

What are the key properties of (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?

(3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 690.88 g/mol, XLogP of 7.24, 17 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 162199549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).