5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid

C14H19NO3 — CID 112693390

IUPAC5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C2CCC(C(=O)O)N2)cc1
InChIInChI=1S/C14H19NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(15-12)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyFKOOXXOZGXUVNA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.35
Rot. Bonds4

About 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid

5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 112693390) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID112693390
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1ccc(C2CCC(C(=O)O)N2)cc1
InChIInChI=1S/C14H19NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(15-12)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyFKOOXXOZGXUVNA-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid (CID 112693390) is 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid is CC(C)Oc1ccc(C2CCC(C(=O)O)N2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FKOOXXOZGXUVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)18-11-5-3-10(4-6-11)12-7-8-13(15-12)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid?
5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 112693390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).