5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid

C15H19NO3 — CID 117407354

IUPAC5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2OCC2CC2)C1
InChIInChI=1S/C15H19NO3/c17-15(18)11-7-13(16-8-11)12-3-1-2-4-14(12)19-9-10-5-6-10/h1-4,10-11,13,16H,5-9H2,(H,17,18)
InChIKeyNNOSSZQTQYZPFE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.21
Rot. Bonds5

About 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid

5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117407354) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117407354
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccccc2OCC2CC2)C1
InChIInChI=1S/C15H19NO3/c17-15(18)11-7-13(16-8-11)12-3-1-2-4-14(12)19-9-10-5-6-10/h1-4,10-11,13,16H,5-9H2,(H,17,18)
InChIKeyNNOSSZQTQYZPFE-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid (CID 117407354) is 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccccc2OCC2CC2)C1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NNOSSZQTQYZPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)11-7-13(16-8-11)12-3-1-2-4-14(12)19-9-10-5-6-10/h1-4,10-11,13,16H,5-9H2,(H,17,18).
What are the key properties of 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid?
5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117407354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).