3-cyclopropyl-2-(2-methylphenyl)propanoic acid

C13H16O2 — CID 79441994

IUPAC3-cyclopropyl-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC1CC1)C(=O)O
InChIInChI=1S/C13H16O2/c1-9-4-2-3-5-11(9)12(13(14)15)8-10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,14,15)
InChIKeyRVETVGKNCHZNDH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.96
Rot. Bonds4

About 3-cyclopropyl-2-(2-methylphenyl)propanoic acid

3-cyclopropyl-2-(2-methylphenyl)propanoic acid (PubChem CID 79441994) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-methylphenyl)propanoic acid
PubChem CID79441994
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-cyclopropyl-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC1CC1)C(=O)O
InChIInChI=1S/C13H16O2/c1-9-4-2-3-5-11(9)12(13(14)15)8-10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,14,15)
InChIKeyRVETVGKNCHZNDH-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-2-(2-fluoro-3-hydroxyphenyl)propanoic acid
CID 118142716
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
4-(dimethylamino)-2-(2-methylphenyl)-4-oxobutanoic acid
CID 82129376
2-(2-methylphenyl)hexanedioic acid
CID 135381848
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
CID 119202486
2-(2-amino-3-chlorophenyl)-3-cyclohexylpropanoic acid
CID 106987780
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-2-(2-methylphenyl)propanoic acid (CID 79441994) is 3-cyclopropyl-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-(2-methylphenyl)propanoic acid?
The InChIKey is RVETVGKNCHZNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-4-2-3-5-11(9)12(13(14)15)8-10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-2-(2-methylphenyl)propanoic acid?
3-cyclopropyl-2-(2-methylphenyl)propanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 79441994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).