3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid

C12H16N2O2 — CID 82661762

IUPAC3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C12H16N2O2/c15-12(16)4-3-10-5-6-13-11(9-10)14-7-1-2-8-14/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyPKHCHPLCLDGCKE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.70
Rot. Bonds4

About 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid

3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid (PubChem CID 82661762) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
PubChem CID82661762
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C12H16N2O2/c15-12(16)4-3-10-5-6-13-11(9-10)14-7-1-2-8-14/h5-6,9H,1-4,7-8H2,(H,15,16)
InChIKeyPKHCHPLCLDGCKE-UHFFFAOYSA-N
XLogP1.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482
N-pentan-3-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273250
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
3-[2-[4-(3-amino-6-chloropyridazin-4-yl)piperazin-1-yl]-4-pyridinyl]propanoic acid
CID 166643495
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 53185924
3-(2-pyrrolidin-1-yl-4-pyridinyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53185937
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid (CID 82661762) is 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid is O=C(O)CCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid?
The InChIKey is PKHCHPLCLDGCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)4-3-10-5-6-13-11(9-10)14-7-1-2-8-14/h5-6,9H,1-4,7-8H2,(H,15,16).
What are the key properties of 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid?
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid has a molecular weight of 220.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 82661762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).