2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

C14H23N3O4 — CID 61370538

IUPAC2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)CN2CCCC2CC(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-11(18)15-5-7-16(8-6-15)13(19)10-17-4-2-3-12(17)9-14(20)21/h12H,2-10H2,1H3,(H,20,21)
InChIKeyFJALJKROMLWIPR-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.38
Rot. Bonds4

About 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370538) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370538
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESCC(=O)N1CCN(C(=O)CN2CCCC2CC(=O)O)CC1
InChIInChI=1S/C14H23N3O4/c1-11(18)15-5-7-16(8-6-15)13(19)10-17-4-2-3-12(17)9-14(20)21/h12H,2-10H2,1H3,(H,20,21)
InChIKeyFJALJKROMLWIPR-UHFFFAOYSA-N
XLogP-0.38
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic 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

2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370713
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371114
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (CID 61370538) is 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is CC(=O)N1CCN(C(=O)CN2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is FJALJKROMLWIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-11(18)15-5-7-16(8-6-15)13(19)10-17-4-2-3-12(17)9-14(20)21/h12H,2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 297.36 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).