5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid

C11H21N3O3 — CID 123302742

IUPAC5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1CNCCN1
InChIInChI=1S/C11H21N3O3/c15-10(2-1-3-11(16)17)14-5-4-9-8-12-6-7-13-9/h9,12-13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWZDBSCHNWOVSLC-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.69
Rot. Bonds7

About 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid

5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid (PubChem CID 123302742) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid
PubChem CID123302742
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCC1CNCCN1
InChIInChI=1S/C11H21N3O3/c15-10(2-1-3-11(16)17)14-5-4-9-8-12-6-7-13-9/h9,12-13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyWZDBSCHNWOVSLC-UHFFFAOYSA-N
XLogP-0.69
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249
5-methyl-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 144920966
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-(2-piperidin-2-ylethyl)octanamide
CID 43125232
N-(2-pyrrolidin-2-ylethyl)pent-4-enamide
CID 114793761
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
CID 172550170
bis(hexanedioic acid);piperazine
CID 159642331

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid (CID 123302742) is 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid is O=C(O)CCCC(=O)NCCC1CNCCN1.
What is the InChIKey of 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid?
The InChIKey is WZDBSCHNWOVSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c15-10(2-1-3-11(16)17)14-5-4-9-8-12-6-7-13-9/h9,12-13H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid?
5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-piperazin-2-ylethylamino)pentanoic acid is sourced from PubChem (CID 123302742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).