tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate

C22H30N2O7 — CID 58290529

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(CC(=O)N3CCOCC3)c2)C1=O
InChIInChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)18(26)19-20(27)24(9-12-30-19)16-6-4-5-15(13-16)14-17(25)23-7-10-29-11-8-23/h4-6,13,18-19,26H,7-12,14H2,1-3H3/t18-,19-/m1/s1
InChIKeyGEVUCKXIHLCJCY-RTBURBONSA-N
MW434.49 g/mol
LogP0.52
Rot. Bonds5

About tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate (PubChem CID 58290529) has the molecular formula C22H30N2O7 and a molecular weight of 434.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
PubChem CID58290529
Molecular FormulaC22H30N2O7
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(CC(=O)N3CCOCC3)c2)C1=O
InChIInChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)18(26)19-20(27)24(9-12-30-19)16-6-4-5-15(13-16)14-17(25)23-7-10-29-11-8-23/h4-6,13,18-19,26H,7-12,14H2,1-3H3/t18-,19-/m1/s1
InChIKeyGEVUCKXIHLCJCY-RTBURBONSA-N
XLogP0.52
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate (CID 58290529) is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1OCCN(c2cccc(CC(=O)N3CCOCC3)c2)C1=O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate?
The InChIKey is GEVUCKXIHLCJCY-RTBURBONSA-N. The full InChI is InChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)18(26)19-20(27)24(9-12-30-19)16-6-4-5-15(13-16)14-17(25)23-7-10-29-11-8-23/h4-6,13,18-19,26H,7-12,14H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate has a molecular weight of 434.49 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 58290529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).