2-cyclopropyl-3-pyridin-4-ylpropanoic acid

C11H13NO2 — CID 83829716

IUPAC2-cyclopropyl-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H13NO2/c13-11(14)10(9-1-2-9)7-8-3-5-12-6-4-8/h3-6,9-10H,1-2,7H2,(H,13,14)
InChIKeyRWBMHYGCTNFERX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds4

About 2-cyclopropyl-3-pyridin-4-ylpropanoic acid

2-cyclopropyl-3-pyridin-4-ylpropanoic acid (PubChem CID 83829716) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-cyclopropyl-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-pyridin-4-ylpropanoic acid
PubChem CID83829716
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-cyclopropyl-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H13NO2/c13-11(14)10(9-1-2-9)7-8-3-5-12-6-4-8/h3-6,9-10H,1-2,7H2,(H,13,14)
InChIKeyRWBMHYGCTNFERX-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
2-(3,4-dimethylcyclohexyl)-3-(4-fluorophenyl)propanoic acid
CID 79418546
3,3-dimethyl-2-(pyridin-4-ylmethyl)butanoic acid
CID 83136840
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid
CID 67642221
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-cyclopropyl-3-pyridin-4-ylpropanoic acid (CID 83829716) is 2-cyclopropyl-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-pyridin-4-ylpropanoic acid is O=C(O)C(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-pyridin-4-ylpropanoic acid?
The InChIKey is RWBMHYGCTNFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)10(9-1-2-9)7-8-3-5-12-6-4-8/h3-6,9-10H,1-2,7H2,(H,13,14).
What are the key properties of 2-cyclopropyl-3-pyridin-4-ylpropanoic acid?
2-cyclopropyl-3-pyridin-4-ylpropanoic acid has a molecular weight of 191.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 83829716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).