5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid

C15H19NO3 — CID 70551832

IUPAC5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid
SMILESCCC(CCC(C#N)c1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-3-11(15(17)18)7-8-13(10-16)12-5-4-6-14(9-12)19-2/h4-6,9,11,13H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyAQHJQQCVVIFDMU-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.19
Rot. Bonds7

About 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid

5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid (PubChem CID 70551832) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid
PubChem CID70551832
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid
SMILESCCC(CCC(C#N)c1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-3-11(15(17)18)7-8-13(10-16)12-5-4-6-14(9-12)19-2/h4-6,9,11,13H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyAQHJQQCVVIFDMU-UHFFFAOYSA-N
XLogP3.19
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-oxo-4-propylheptanenitrile
CID 82984266
2-(3-methoxyphenyl)-4-oxobutanenitrile
CID 14107117
2-(aminomethyl)-4-(3-methoxyphenyl)hexanoic acid
CID 69269480
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
(2S)-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 6928256
methyl 2-[[cyano-(3-methoxyphenyl)methyl]amino]acetate
CID 112500761
2-(3-methoxyphenyl)-4-(3-methylphenoxy)butanenitrile
CID 82137803
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
2-(3-ethoxyphenyl)-4-oxopentanenitrile
CID 175669256
ethyl 3-cyano-3-(3-methoxyphenyl)-2-oxopropanoate
CID 66490672
2-(3-methoxyphenyl)-4-methyl-3-oxopentanenitrile
CID 61262930

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid?
The IUPAC name of 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid (CID 70551832) is 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid?
The canonical SMILES for 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid is CCC(CCC(C#N)c1cccc(OC)c1)C(=O)O.
What is the InChIKey of 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid?
The InChIKey is AQHJQQCVVIFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-11(15(17)18)7-8-13(10-16)12-5-4-6-14(9-12)19-2/h4-6,9,11,13H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid?
5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethyl-5-(3-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 70551832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).