3-cyclopropyl-4-(4-methylphenyl)butanoic acid

C14H18O2 — CID 82079304

IUPAC3-cyclopropyl-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)8-13(9-14(15)16)12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,15,16)
InChIKeyHHDMCSRXJOOPAH-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.04
Rot. Bonds5

About 3-cyclopropyl-4-(4-methylphenyl)butanoic acid

3-cyclopropyl-4-(4-methylphenyl)butanoic acid (PubChem CID 82079304) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-cyclopropyl-4-(4-methylphenyl)butanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-4-(4-methylphenyl)butanoic acid
PubChem CID82079304
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-cyclopropyl-4-(4-methylphenyl)butanoic acid
SMILESCc1ccc(CC(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)8-13(9-14(15)16)12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,15,16)
InChIKeyHHDMCSRXJOOPAH-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-cyclopropylpropyl)-4-methylbenzene
CID 104819629
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
(3R)-4-methyl-3-[(4-methylphenyl)methyl]pentanoic acid
CID 69228127
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
4-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)butanoic acid
CID 82352197
4-(4-methylphenyl)-3-(prop-2-enylamino)butanoic acid
CID 82350432
[1-bromo-3-(4-methylphenyl)propan-2-yl]cycloheptane
CID 82946366
4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352205
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 120689540
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(4-methylphenyl)butanoic acid?
The IUPAC name of 3-cyclopropyl-4-(4-methylphenyl)butanoic acid (CID 82079304) is 3-cyclopropyl-4-(4-methylphenyl)butanoic acid.
What is the SMILES notation for 3-cyclopropyl-4-(4-methylphenyl)butanoic acid?
The canonical SMILES for 3-cyclopropyl-4-(4-methylphenyl)butanoic acid is Cc1ccc(CC(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-4-(4-methylphenyl)butanoic acid?
The InChIKey is HHDMCSRXJOOPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-2-4-11(5-3-10)8-13(9-14(15)16)12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,15,16).
What are the key properties of 3-cyclopropyl-4-(4-methylphenyl)butanoic acid?
3-cyclopropyl-4-(4-methylphenyl)butanoic acid has a molecular weight of 218.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(4-methylphenyl)butanoic acid is sourced from PubChem (CID 82079304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).