3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C11H19N3O3 — CID 102781941

IUPAC3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCNCC2)C1C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyPXEFALJFFIXZCE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.19
Rot. Bonds1

About 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102781941) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102781941
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCNCC2)C1C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyPXEFALJFFIXZCE-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291
1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781678
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 102781941) is 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N2CCNCC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PXEFALJFFIXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).