3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid

C17H24O2 — CID 117405507

IUPAC3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1cccc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C17H24O2/c1-3-12(4-2)14-6-5-7-15(10-14)16(11-17(18)19)13-8-9-13/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeySYIUZWHPLKLZMG-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.56
Rot. Bonds7

About 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid

3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid (PubChem CID 117405507) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
PubChem CID117405507
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1cccc(C(CC(=O)O)C2CC2)c1
InChIInChI=1S/C17H24O2/c1-3-12(4-2)14-6-5-7-15(10-14)16(11-17(18)19)13-8-9-13/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,19)
InChIKeySYIUZWHPLKLZMG-UHFFFAOYSA-N
XLogP4.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117469302
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CID 117402253
3-cyclopropyl-3-[3-(2,2-difluoropropyl)phenyl]propanoic acid
CID 117424402
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-cyclopropyl-3-[3-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117485723
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid (CID 117405507) is 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid is CCC(CC)c1cccc(C(CC(=O)O)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid?
The InChIKey is SYIUZWHPLKLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-12(4-2)14-6-5-7-15(10-14)16(11-17(18)19)13-8-9-13/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid?
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid has a molecular weight of 260.38 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid is sourced from PubChem (CID 117405507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).