trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid

C9H9NO2 — CID 39235822

IUPACtrans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccn1
InChIInChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyZFZMEVZZAIRAHE-RNFRBKRXSA-N
MW163.18 g/mol
LogP1.27
Rot. Bonds2

About trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid (PubChem CID 39235822) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid
PubChem CID39235822
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Nametrans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccccn1
InChIInChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m1/s1
InChIKeyZFZMEVZZAIRAHE-RNFRBKRXSA-N
XLogP1.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyridin-3-yl)propanoic acid
CID 259624
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CID 114
3-(3-Pyridyl)alanine
CID 152953
3-(Pyridin-2-yl)propanoic acid
CID 564292
CID 12904539
CID 12904539
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
CID 13417260
12-Phenyl-12-pyridin-3-yl-dodec-11-enoic acid
CID 13417266
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
Methyl 3-(pyridin-3-yl)propanoate
CID 10329646
2-Phenyl-4-pyridin-2-ylbutanoic acid
CID 238363

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid (CID 39235822) is trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccccn1.
What is the InChIKey of trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is ZFZMEVZZAIRAHE-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 39235822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).