2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

C12H19N3O3 — CID 83080112

IUPAC2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1nnc(CN2CCCC2(CC)C(=O)O)o1
InChIInChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-6-12(15,4-2)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyAYWVQBFTNNXMHH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.46
Rot. Bonds5

About 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 83080112) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID83080112
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1nnc(CN2CCCC2(CC)C(=O)O)o1
InChIInChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-6-12(15,4-2)11(16)17/h3-8H2,1-2H3,(H,16,17)
InChIKeyAYWVQBFTNNXMHH-UHFFFAOYSA-N
XLogP1.46
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598966
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
2-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080275
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979077
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070479
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
1-[(3-bromofuran-2-yl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 106889586
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 83080112) is 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is CCc1nnc(CN2CCCC2(CC)C(=O)O)o1.
What is the InChIKey of 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AYWVQBFTNNXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-9-13-14-10(18-9)8-15-7-5-6-12(15,4-2)11(16)17/h3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).