2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid

C13H23N3O3 — CID 62310681

IUPAC2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-11(13(18)19)15-8-6-14(7-9-15)10-12(17)16-4-2-3-5-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyUQLGFWUBDMMAHU-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.30
Rot. Bonds4

About 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid (PubChem CID 62310681) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
PubChem CID62310681
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-11(13(18)19)15-8-6-14(7-9-15)10-12(17)16-4-2-3-5-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyUQLGFWUBDMMAHU-UHFFFAOYSA-N
XLogP-0.30
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]propanoic acid
CID 62310293
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid (CID 62310681) is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid?
The InChIKey is UQLGFWUBDMMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-11(13(18)19)15-8-6-14(7-9-15)10-12(17)16-4-2-3-5-16/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid?
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).