4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid

C11H19N3O3 — CID 22047729

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H19N3O3/c15-10(13-3-1-2-4-13)9-12-5-7-14(8-6-12)11(16)17/h1-9H2,(H,16,17)
InChIKeyLXTZJPHOLAMRGD-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.10
Rot. Bonds2

About 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid

4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid (PubChem CID 22047729) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
PubChem CID22047729
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C11H19N3O3/c15-10(13-3-1-2-4-13)9-12-5-7-14(8-6-12)11(16)17/h1-9H2,(H,16,17)
InChIKeyLXTZJPHOLAMRGD-UHFFFAOYSA-N
XLogP-0.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
CID 141382858
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperazine-1-carboxylic acid
CID 175244751
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid (CID 22047729) is 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid?
The InChIKey is LXTZJPHOLAMRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(13-3-1-2-4-13)9-12-5-7-14(8-6-12)11(16)17/h1-9H2,(H,16,17).
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid?
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 22047729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).