2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate

C22H34N4O8-2 — CID 140841592

IUPAC2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)N1CCOCC1)C1CCCCC1N(CC(=O)[O-])CC(=O)N1CCOCC1
InChIInChI=1S/C22H36N4O8/c27-19(23-5-9-33-10-6-23)13-25(15-21(29)30)17-3-1-2-4-18(17)26(16-22(31)32)14-20(28)24-7-11-34-12-8-24/h17-18H,1-16H2,(H,29,30)(H,31,32)/p-2
InChIKeyCJRUQSKOBLCUAD-UHFFFAOYSA-L
MW482.53 g/mol
LogP-3.88
Rot. Bonds10

About 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate

2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate (PubChem CID 140841592) has the molecular formula C22H34N4O8-2 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Name2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate
PubChem CID140841592
Molecular FormulaC22H34N4O8-2
Molecular Weight482.53 g/mol
Exact Mass482.24
IUPAC Name2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate
SMILESO=C([O-])CN(CC(=O)N1CCOCC1)C1CCCCC1N(CC(=O)[O-])CC(=O)N1CCOCC1
InChIInChI=1S/C22H36N4O8/c27-19(23-5-9-33-10-6-23)13-25(15-21(29)30)17-3-1-2-4-18(17)26(16-22(31)32)14-20(28)24-7-11-34-12-8-24/h17-18H,1-16H2,(H,29,30)(H,31,32)/p-2
InChIKeyCJRUQSKOBLCUAD-UHFFFAOYSA-L
XLogP-3.88
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 5-3.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate?
The IUPAC name of 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate (CID 140841592) is 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate.
What is the SMILES notation for 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate?
The canonical SMILES for 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate is O=C([O-])CN(CC(=O)N1CCOCC1)C1CCCCC1N(CC(=O)[O-])CC(=O)N1CCOCC1.
What is the InChIKey of 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate?
The InChIKey is CJRUQSKOBLCUAD-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H36N4O8/c27-19(23-5-9-33-10-6-23)13-25(15-21(29)30)17-3-1-2-4-18(17)26(16-22(31)32)14-20(28)24-7-11-34-12-8-24/h17-18H,1-16H2,(H,29,30)(H,31,32)/p-2.
What are the key properties of 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate?
2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate has a molecular weight of 482.53 g/mol, XLogP of -3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexyl]-(2-morpholin-4-yl-2-oxoethyl)amino]acetate is sourced from PubChem (CID 140841592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).