3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid

C16H23NO3 — CID 64529115

IUPAC3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H23NO3/c1-3-16(12-15(18)19,17-10-4-5-11-17)13-6-8-14(20-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyQVDVAHDFAWWLRK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid

3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid (PubChem CID 64529115) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
PubChem CID64529115
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid
SMILESCCC(CC(=O)O)(c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H23NO3/c1-3-16(12-15(18)19,17-10-4-5-11-17)13-6-8-14(20-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyQVDVAHDFAWWLRK-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 64529113
3-(azepan-1-yl)-3-(4-methoxyphenyl)butanoic acid
CID 64526937
3-(3-fluorophenyl)-3-pyrrolidin-1-ylpentanoic acid
CID 114873020
2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19868117
3-(3-methoxyphenyl)-3-piperidin-1-ylbutanoic acid
CID 64527215
3-(2,5-dimethoxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64528718
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
ethyl 4-methoxy-3-phenyl-3-pyrrolidin-1-ylbutanoate
CID 103466113
2-ethyl-1-(4-methoxyphenyl)-2-piperidin-1-ylpent-4-en-1-one
CID 19426102
1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
CID 58455165
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid (CID 64529115) is 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid is CCC(CC(=O)O)(c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid?
The InChIKey is QVDVAHDFAWWLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-16(12-15(18)19,17-10-4-5-11-17)13-6-8-14(20-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid?
3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 64529115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).