3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid

C25H33NO5 — CID 15427540

IUPAC3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
SMILESCCCCN(CCCC)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C25H33NO5/c1-3-5-17-26(18-6-4-2)22(27)19-31-25(23(28)24(29)30,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,23,28H,3-6,17-19H2,1-2H3,(H,29,30)
InChIKeyRVVNFIPTJIVKKJ-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.82
Rot. Bonds13

About 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid

3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid (PubChem CID 15427540) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
PubChem CID15427540
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid
SMILESCCCCN(CCCC)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)O
InChIInChI=1S/C25H33NO5/c1-3-5-17-26(18-6-4-2)22(27)19-31-25(23(28)24(29)30,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,23,28H,3-6,17-19H2,1-2H3,(H,29,30)
InChIKeyRVVNFIPTJIVKKJ-UHFFFAOYSA-N
XLogP3.82
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The IUPAC name of 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid (CID 15427540) is 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid.
What is the SMILES notation for 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The canonical SMILES for 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid is CCCCN(CCCC)C(=O)COC(c1ccccc1)(c1ccccc1)C(O)C(=O)O.
What is the InChIKey of 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
The InChIKey is RVVNFIPTJIVKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5/c1-3-5-17-26(18-6-4-2)22(27)19-31-25(23(28)24(29)30,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,23,28H,3-6,17-19H2,1-2H3,(H,29,30).
What are the key properties of 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid?
3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid has a molecular weight of 427.54 g/mol, XLogP of 3.82, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dibutylamino)-2-oxoethoxy]-2-hydroxy-3,3-diphenylpropanoic acid is sourced from PubChem (CID 15427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).