1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H18N2O5 — CID 66062486

IUPAC1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H18N2O5/c1-8-11(18)14-9(16)7-15(8)10(17)6-13(12(19)20)4-2-3-5-13/h8H,2-7H2,1H3,(H,19,20)(H,14,16,18)
InChIKeyJQTJZTKPSYEPQC-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.10
Rot. Bonds3

About 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 66062486) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID66062486
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H18N2O5/c1-8-11(18)14-9(16)7-15(8)10(17)6-13(12(19)20)4-2-3-5-13/h8H,2-7H2,1H3,(H,19,20)(H,14,16,18)
InChIKeyJQTJZTKPSYEPQC-UHFFFAOYSA-N
XLogP-0.10
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methoxycyclobutyl)acetyl]-3-methylpiperazine-2,6-dione
CID 103557215
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
2-[1-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81157435
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54882575
3-methyl-4-[2-(oxolan-2-yl)acetyl]piperazine-2,6-dione
CID 66061141
2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
CID 66074682
2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 66061602
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-methylpiperazine-2,6-dione
CID 79615830
2-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]sulfanylacetonitrile
CID 66060818

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 66062486) is 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1C(=O)NC(=O)CN1C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is JQTJZTKPSYEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-11(18)14-9(16)7-15(8)10(17)6-13(12(19)20)4-2-3-5-13/h8H,2-7H2,1H3,(H,19,20)(H,14,16,18).
What are the key properties of 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66062486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).