2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid

C13H15N3O2 — CID 63881187

IUPAC2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESN#Cc1cc(CN2CCCC2CC(=O)O)ccn1
InChIInChI=1S/C13H15N3O2/c14-8-11-6-10(3-4-15-11)9-16-5-1-2-12(16)7-13(17)18/h3-4,6,12H,1-2,5,7,9H2,(H,17,18)
InChIKeyHYECKGQPCGQUSG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 63881187) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID63881187
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid
SMILESN#Cc1cc(CN2CCCC2CC(=O)O)ccn1
InChIInChI=1S/C13H15N3O2/c14-8-11-6-10(3-4-15-11)9-16-5-1-2-12(16)7-13(17)18/h3-4,6,12H,1-2,5,7,9H2,(H,17,18)
InChIKeyHYECKGQPCGQUSG-UHFFFAOYSA-N
XLogP1.39
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid (CID 63881187) is 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid is N#Cc1cc(CN2CCCC2CC(=O)O)ccn1.
What is the InChIKey of 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is HYECKGQPCGQUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-11-6-10(3-4-15-11)9-16-5-1-2-12(16)7-13(17)18/h3-4,6,12H,1-2,5,7,9H2,(H,17,18).
What are the key properties of 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63881187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).