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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Related Compounds

2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834844
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 83065191
2-ethyl-1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834843
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080388
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[1-(2,4-dimethylphenyl)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080641
2-ethyl-1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-2-carboxylic acid
CID 83062903

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).