3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid

C14H25N3O4 — CID 63149236

IUPAC3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C14H25N3O4/c1-2-14(12(19)20)3-4-17(11-14)13(21)16-7-5-15(6-8-16)9-10-18/h18H,2-11H2,1H3,(H,19,20)
InChIKeyRNMACABZOAMWCG-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.10
Rot. Bonds4

About 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 63149236) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID63149236
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C14H25N3O4/c1-2-14(12(19)20)3-4-17(11-14)13(21)16-7-5-15(6-8-16)9-10-18/h18H,2-11H2,1H3,(H,19,20)
InChIKeyRNMACABZOAMWCG-UHFFFAOYSA-N
XLogP-0.10
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
4-ethyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 63126334
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
3-ethyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114411809
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid (CID 63149236) is 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCN(CCO)CC2)C1.
What is the InChIKey of 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RNMACABZOAMWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-14(12(19)20)3-4-17(11-14)13(21)16-7-5-15(6-8-16)9-10-18/h18H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).