2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C14H25N3O3 — CID 114538735

IUPAC2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCCC2(C)C(=O)O)CC(C)N1C
InChIInChI=1S/C14H25N3O3/c1-10-8-16(9-11(2)15(10)4)13(20)17-7-5-6-14(17,3)12(18)19/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyZDNFCUWVTDCACQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds1

About 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 114538735) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID114538735
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CCCC2(C)C(=O)O)CC(C)N1C
InChIInChI=1S/C14H25N3O3/c1-10-8-16(9-11(2)15(10)4)13(20)17-7-5-6-14(17,3)12(18)19/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyZDNFCUWVTDCACQ-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114679570
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598443
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64693700
1-(2-cyanomorpholine-4-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 79676543
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598177

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 114538735) is 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CN(C(=O)N2CCCC2(C)C(=O)O)CC(C)N1C.
What is the InChIKey of 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZDNFCUWVTDCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-8-16(9-11(2)15(10)4)13(20)17-7-5-6-14(17,3)12(18)19/h10-11H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114538735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).