(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid

C24H35NO8 — CID 67032905

IUPAC(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(C)(C)CCOc1ccccc1N1CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C1=O
InChIInChI=1S/C24H35NO8/c1-23(2,3)15-18(26)33-20(22(28)29)19-21(27)25(12-14-32-19)16-9-7-8-10-17(16)31-13-11-24(4,5)30-6/h7-10,19-20H,11-15H2,1-6H3,(H,28,29)/t19-,20-/m1/s1
InChIKeyTZEWDDZBPACZJX-WOJBJXKFSA-N
MW465.54 g/mol
LogP3.04
Rot. Bonds10

About (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid

(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 67032905) has the molecular formula C24H35NO8 and a molecular weight of 465.54 g/mol. Its IUPAC name is (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID67032905
Molecular FormulaC24H35NO8
Molecular Weight465.54 g/mol
Exact Mass465.24
IUPAC Name(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(C)(C)CCOc1ccccc1N1CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C1=O
InChIInChI=1S/C24H35NO8/c1-23(2,3)15-18(26)33-20(22(28)29)19-21(27)25(12-14-32-19)16-9-7-8-10-17(16)31-13-11-24(4,5)30-6/h7-10,19-20H,11-15H2,1-6H3,(H,28,29)/t19-,20-/m1/s1
InChIKeyTZEWDDZBPACZJX-WOJBJXKFSA-N
XLogP3.04
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid (CID 67032905) is (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid is COC(C)(C)CCOc1ccccc1N1CCO[C@H]([C@@H](OC(=O)CC(C)(C)C)C(=O)O)C1=O.
What is the InChIKey of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is TZEWDDZBPACZJX-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H35NO8/c1-23(2,3)15-18(26)33-20(22(28)29)19-21(27)25(12-14-32-19)16-9-7-8-10-17(16)31-13-11-24(4,5)30-6/h7-10,19-20H,11-15H2,1-6H3,(H,28,29)/t19-,20-/m1/s1.
What are the key properties of (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 465.54 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 67032905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).