1-benzyl-2-ethylpyrrolidine-2-carboxylic acid

C14H19NO2 — CID 83070927

IUPAC1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-14(13(16)17)9-6-10-15(14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyDARILPFPFOLJRF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds4

About 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid

1-benzyl-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83070927) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83070927
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-14(13(16)17)9-6-10-15(14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyDARILPFPFOLJRF-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064368
1-[(3-bromo-4-fluorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080284
1-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 114489125
1-[(3-bromofuran-2-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 106889586
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079736
1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 104819008
1-(1,3-benzothiazol-2-ylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83079744
(2R)-1-benzyl-2-ethyl-4-oxopyrrolidine-2-carboxylic acid
CID 67741255
1-[(2-bromo-4-chlorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079591
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid (CID 83070927) is 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is DARILPFPFOLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-14(13(16)17)9-6-10-15(14)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,16,17).
What are the key properties of 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid?
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).