2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid

C17H25NO2 — CID 83079586

IUPAC2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(Cc1ccccc1)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-15(13-14-9-6-5-7-10-14)18-12-8-11-17(18,4-2)16(19)20/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,19,20)
InChIKeyVXSCAWPBXWYIIT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds6

About 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83079586) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID83079586
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC(Cc1ccccc1)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-15(13-14-9-6-5-7-10-14)18-12-8-11-17(18,4-2)16(19)20/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,19,20)
InChIKeyVXSCAWPBXWYIIT-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid (CID 83079586) is 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid is CCC(Cc1ccccc1)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VXSCAWPBXWYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15(13-14-9-6-5-7-10-14)18-12-8-11-17(18,4-2)16(19)20/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83079586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).