5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid

C11H18N2O4 — CID 1089069

IUPAC5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2)10(17)12-6-7-13(11)8(14)4-3-5-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyGKZGUBQOEKQCMB-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds4

About 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid

5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid (PubChem CID 1089069) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid
PubChem CID1089069
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2)10(17)12-6-7-13(11)8(14)4-3-5-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyGKZGUBQOEKQCMB-UHFFFAOYSA-N
XLogP-0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7018721
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2-Amino-5-[1-(carboxymethylcarbamoyl)propylamino]-5-oxo-pentanoic acid
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3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
3-[(2S)-3,6-dioxopiperazin-2-yl]propanoic Acid
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CID 134400574
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 161173
(2R)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 25791484
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
CID 110191810
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Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid (CID 1089069) is 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid is CC1(C)C(=O)NCCN1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid?
The InChIKey is GKZGUBQOEKQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2)10(17)12-6-7-13(11)8(14)4-3-5-9(15)16/h3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid?
5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 1089069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).