4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid

C15H21NO3 — CID 43803460

IUPAC4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid
SMILESCC(CCc1ccc(O)cc1)(C(=O)O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-15(14(18)19,16-10-2-3-11-16)9-8-12-4-6-13(17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyXWYDIHOOIYVCCR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.26
Rot. Bonds5

About 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid

4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid (PubChem CID 43803460) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid
PubChem CID43803460
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid
SMILESCC(CCc1ccc(O)cc1)(C(=O)O)N1CCCC1
InChIInChI=1S/C15H21NO3/c1-15(14(18)19,16-10-2-3-11-16)9-8-12-4-6-13(17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyXWYDIHOOIYVCCR-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752469
3-(4-hydroxyphenyl)-2-methyl-2-(4-methylpiperidin-1-yl)propanoic acid
CID 84752381
3-(4-hydroxy-3-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 84752395
2-methyl-3-(4-nitrophenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 84747091
2-(azepan-1-yl)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 84746800
2-(1,4-diazepan-1-yl)-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832067
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-one
CID 79059853
3-(azepan-1-yl)-3-methyl-5-phenylpentanoic acid
CID 64528496
2-(azepan-1-yl)-2,4-dimethylpentanoic acid
CID 61057943
1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 97356006
2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285
4-[2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715405

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid (CID 43803460) is 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid is CC(CCc1ccc(O)cc1)(C(=O)O)N1CCCC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid?
The InChIKey is XWYDIHOOIYVCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(14(18)19,16-10-2-3-11-16)9-8-12-4-6-13(17)7-5-12/h4-7,17H,2-3,8-11H2,1H3,(H,18,19).
What are the key properties of 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid?
4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 43803460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).