3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid

C16H20O3 — CID 117107780

IUPAC3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
SMILESCOC1(c2ccc(C(CC(=O)O)C3CC3)cc2)CC1
InChIInChI=1S/C16H20O3/c1-19-16(8-9-16)13-6-4-12(5-7-13)14(10-15(17)18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyBEUSKRGJUZPOSD-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.29
Rot. Bonds6

About 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid

3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid (PubChem CID 117107780) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
PubChem CID117107780
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
SMILESCOC1(c2ccc(C(CC(=O)O)C3CC3)cc2)CC1
InChIInChI=1S/C16H20O3/c1-19-16(8-9-16)13-6-4-12(5-7-13)14(10-15(17)18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyBEUSKRGJUZPOSD-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-3-[4-(3,3-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484278
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117114832
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)propanoic acid
CID 117410987
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117373940

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid (CID 117107780) is 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid is COC1(c2ccc(C(CC(=O)O)C3CC3)cc2)CC1.
What is the InChIKey of 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid?
The InChIKey is BEUSKRGJUZPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-16(8-9-16)13-6-4-12(5-7-13)14(10-15(17)18)11-2-3-11/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid?
3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid is sourced from PubChem (CID 117107780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).