2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C14H25N3O3 — CID 83070533

IUPAC2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCCC2(CC)C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-14(12(18)19)6-5-7-17(14)13(20)16-10-8-15(4-2)9-11-16/h3-11H2,1-2H3,(H,18,19)
InChIKeyHRELNXCJEMGBSX-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds3

About 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83070533) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83070533
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCCC2(CC)C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-3-14(12(18)19)6-5-7-17(14)13(20)16-10-8-15(4-2)9-11-16/h3-11H2,1-2H3,(H,18,19)
InChIKeyHRELNXCJEMGBSX-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83070679
2-ethyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83071222
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070767
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879
1-but-2-ynoyl-2-ethylpyrrolidine-2-carboxylic acid
CID 107986958
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
2-ethyl-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 83071062

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 83070533) is 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CCN1CCN(C(=O)N2CCCC2(CC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HRELNXCJEMGBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-14(12(18)19)6-5-7-17(14)13(20)16-10-8-15(4-2)9-11-16/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).