2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid

C11H19N3O3 — CID 65071259

IUPAC2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCC(N2CCNC(=O)C2CC(=O)O)C1
InChIInChI=1S/C11H19N3O3/c1-13-4-2-8(7-13)14-5-3-12-11(17)9(14)6-10(15)16/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyCZEDIRKAXMPWFM-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.03
Rot. Bonds3

About 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65071259) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID65071259
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCN1CCC(N2CCNC(=O)C2CC(=O)O)C1
InChIInChI=1S/C11H19N3O3/c1-13-4-2-8(7-13)14-5-3-12-11(17)9(14)6-10(15)16/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyCZEDIRKAXMPWFM-UHFFFAOYSA-N
XLogP-1.03
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methyloxan-4-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65071553
N-cyclohexyl-2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-methylacetamide
CID 42287624
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558
2-[1-(1-benzylpiperidin-4-yl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 50984132
4-(4-aminocyclohexyl)-3-ethylpiperazin-2-one
CID 63601827
2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
CID 105360846
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]-3-oxopiperazin-2-yl]acetic acid
CID 174799524
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
4-(3-aminocyclobutyl)-3-ethylpiperazin-2-one
CID 80561677
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid (CID 65071259) is 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid is CN1CCC(N2CCNC(=O)C2CC(=O)O)C1.
What is the InChIKey of 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is CZEDIRKAXMPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13-4-2-8(7-13)14-5-3-12-11(17)9(14)6-10(15)16/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65071259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).