2-(4-cyclopropyl-2-pyridinyl)acetic acid

C10H11NO2 — CID 118209456

IUPAC2-(4-cyclopropyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C10H11NO2/c12-10(13)6-9-5-8(3-4-11-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)
InChIKeyDMIJRXWZIREWQW-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.59
Rot. Bonds3

About 2-(4-cyclopropyl-2-pyridinyl)acetic acid

2-(4-cyclopropyl-2-pyridinyl)acetic acid (PubChem CID 118209456) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-pyridinyl)acetic acid
PubChem CID118209456
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(4-cyclopropyl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C10H11NO2/c12-10(13)6-9-5-8(3-4-11-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)
InChIKeyDMIJRXWZIREWQW-UHFFFAOYSA-N
XLogP1.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[4-(oxan-4-yl)-2-pyridinyl]acetate
CID 118627337
2-(4-cyclobutyloxy-2-pyridinyl)acetic acid
CID 118627309
2-(2-bromo-5-cyclopropylphenyl)acetic acid
CID 68804800
[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl] 2,2,2-trifluoroacetate
CID 118627334
(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one
CID 160686418
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816
N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 140765291
2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoic acid
CID 121318759
(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 160861251
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
2-[4-[2-(4-fluorophenyl)cyclohexyl]-2-pyridinyl]acetamide
CID 159775749
2-(4-cycloheptylphenyl)acetic acid
CID 21484425

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-2-pyridinyl)acetic acid (CID 118209456) is 2-(4-cyclopropyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-2-pyridinyl)acetic acid is O=C(O)Cc1cc(C2CC2)ccn1.
What is the InChIKey of 2-(4-cyclopropyl-2-pyridinyl)acetic acid?
The InChIKey is DMIJRXWZIREWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)6-9-5-8(3-4-11-9)7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13).
What are the key properties of 2-(4-cyclopropyl-2-pyridinyl)acetic acid?
2-(4-cyclopropyl-2-pyridinyl)acetic acid has a molecular weight of 177.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 118209456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).