1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

C11H15N3O4 — CID 168690160

IUPAC1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1=NNC(=O)C1CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H15N3O4/c1-6-8(10(16)13-12-6)2-3-14-5-7(11(17)18)4-9(14)15/h7-8H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyXEWNMBBAJICILY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.57
Rot. Bonds4

About 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690160) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690160
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1=NNC(=O)C1CCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C11H15N3O4/c1-6-8(10(16)13-12-6)2-3-14-5-7(11(17)18)4-9(14)15/h7-8H,2-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyXEWNMBBAJICILY-UHFFFAOYSA-N
XLogP-0.57
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63983679
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168690160) is 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CC1=NNC(=O)C1CCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XEWNMBBAJICILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-8(10(16)13-12-6)2-3-14-5-7(11(17)18)4-9(14)15/h7-8H,2-5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).