3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid

C20H27N3O4 — CID 91779213

IUPAC3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)N2CCN(c3ccccc3)CC2)CCC(=O)N1
InChIInChI=1S/C20H27N3O4/c24-17-6-9-20(21-17,11-8-19(26)27)10-7-18(25)23-14-12-22(13-15-23)16-4-2-1-3-5-16/h1-5H,6-15H2,(H,21,24)(H,26,27)
InChIKeyOOAMSGBYEVFFAX-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.63
Rot. Bonds7

About 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid

3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid (PubChem CID 91779213) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid
PubChem CID91779213
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)N2CCN(c3ccccc3)CC2)CCC(=O)N1
InChIInChI=1S/C20H27N3O4/c24-17-6-9-20(21-17,11-8-19(26)27)10-7-18(25)23-14-12-22(13-15-23)16-4-2-1-3-5-16/h1-5H,6-15H2,(H,21,24)(H,26,27)
InChIKeyOOAMSGBYEVFFAX-UHFFFAOYSA-N
XLogP1.63
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91793379
3-[2-[3-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91782530
3-[(2S)-2-[3-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 124680237
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-[2-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91795378
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45228364
3-[2-[3-(9H-fluoren-9-ylamino)-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91772855
3-[(2S)-2-(3-methoxy-3-oxopropyl)-5-oxopyrrolidin-2-yl]propanoic acid
CID 124583176
(5R)-5-[3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-3-oxopropyl]-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 42480761
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860

Frequently Asked Questions

What is the IUPAC name of 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid (CID 91779213) is 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid is O=C(O)CCC1(CCC(=O)N2CCN(c3ccccc3)CC2)CCC(=O)N1.
What is the InChIKey of 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid?
The InChIKey is OOAMSGBYEVFFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-17-6-9-20(21-17,11-8-19(26)27)10-7-18(25)23-14-12-22(13-15-23)16-4-2-1-3-5-16/h1-5H,6-15H2,(H,21,24)(H,26,27).
What are the key properties of 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid?
3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid has a molecular weight of 373.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 91779213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).