1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid

C14H14N2O4 — CID 63031118

IUPAC1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
SMILESN#Cc1ccc(OCC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H14N2O4/c15-7-10-1-3-12(4-2-10)20-9-13(17)16-6-5-11(8-16)14(18)19/h1-4,11H,5-6,8-9H2,(H,18,19)
InChIKeyZFPPILOMBDULJZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031118) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63031118
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
SMILESN#Cc1ccc(OCC(=O)N2CCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H14N2O4/c15-7-10-1-3-12(4-2-10)20-9-13(17)16-6-5-11(8-16)14(18)19/h1-4,11H,5-6,8-9H2,(H,18,19)
InChIKeyZFPPILOMBDULJZ-UHFFFAOYSA-N
XLogP0.87
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[2-(4-cyanophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129367315
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 51090889
4-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115965203
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethoxy]benzonitrile
CID 66370455
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
4-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid (CID 63031118) is 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid is N#Cc1ccc(OCC(=O)N2CCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZFPPILOMBDULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-7-10-1-3-12(4-2-10)20-9-13(17)16-6-5-11(8-16)14(18)19/h1-4,11H,5-6,8-9H2,(H,18,19).
What are the key properties of 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid?
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).