2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid

C14H19NO2 — CID 119150831

IUPAC2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(c2ccccc2)C1C
InChIInChI=1S/C14H19NO2/c1-10-13(12-6-4-3-5-7-12)8-9-15(10)11(2)14(16)17/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17)
InChIKeyUULAQUWBKLGTQA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid

2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid (PubChem CID 119150831) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
PubChem CID119150831
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCC(c2ccccc2)C1C
InChIInChI=1S/C14H19NO2/c1-10-13(12-6-4-3-5-7-12)8-9-15(10)11(2)14(16)17/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17)
InChIKeyUULAQUWBKLGTQA-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid (CID 119150831) is 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid is CC(C(=O)O)N1CCC(c2ccccc2)C1C.
What is the InChIKey of 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid?
The InChIKey is UULAQUWBKLGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-13(12-6-4-3-5-7-12)8-9-15(10)11(2)14(16)17/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid?
2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 119150831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).