2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid

C13H18N2O2 — CID 61372298

IUPAC2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCc1ccncc1
InChIInChI=1S/C13H18N2O2/c16-13(17)10-12-2-1-8-15(12)9-5-11-3-6-14-7-4-11/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)
InChIKeyOALZILOXHGRWHZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds5

About 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61372298) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
PubChem CID61372298
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCc1ccncc1
InChIInChI=1S/C13H18N2O2/c16-13(17)10-12-2-1-8-15(12)9-5-11-3-6-14-7-4-11/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)
InChIKeyOALZILOXHGRWHZ-UHFFFAOYSA-N
XLogP1.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,1-dioxo-4-(2-pyridin-4-ylethyl)-1,4-thiazinan-3-yl]acetic acid
CID 80519546
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 167946409
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002
2-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983003

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid (CID 61372298) is 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1CCc1ccncc1.
What is the InChIKey of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is OALZILOXHGRWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17)10-12-2-1-8-15(12)9-5-11-3-6-14-7-4-11/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17).
What are the key properties of 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).