3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid

C12H15NO2 — CID 83819863

IUPAC3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C12H15NO2/c1-8-2-3-10(7-13-8)11(6-12(14)15)9-4-5-9/h2-3,7,9,11H,4-6H2,1H3,(H,14,15)
InChIKeyJQYYDIAMTGAOBH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.36
Rot. Bonds4

About 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid

3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid (PubChem CID 83819863) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
PubChem CID83819863
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CC2)cn1
InChIInChI=1S/C12H15NO2/c1-8-2-3-10(7-13-8)11(6-12(14)15)9-4-5-9/h2-3,7,9,11H,4-6H2,1H3,(H,14,15)
InChIKeyJQYYDIAMTGAOBH-UHFFFAOYSA-N
XLogP2.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methylisoquinolin-7-yl)propanoic acid
CID 117391433
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
CID 104823824
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
(3S)-3-cyclopropyl-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 166025482
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-cyclopropyl-3-(1H-pyrazol-4-yl)propanoic acid
CID 83875396
3-cyclopropyl-3-(3-methyl-1,2-benzoxazol-6-yl)propanoic acid
CID 117364715

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid (CID 83819863) is 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid is Cc1ccc(C(CC(=O)O)C2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid?
The InChIKey is JQYYDIAMTGAOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-2-3-10(7-13-8)11(6-12(14)15)9-4-5-9/h2-3,7,9,11H,4-6H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid?
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 83819863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).