2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C12H19N3O4 — CID 64693700

IUPAC2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18)4-3-5-15(12)11(19)14-7-6-13(2)9(16)8-14/h3-8H2,1-2H3,(H,17,18)
InChIKeyXTOSTSDMHFQZEJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds1

About 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 64693700) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID64693700
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCN1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1=O
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18)4-3-5-15(12)11(19)14-7-6-13(2)9(16)8-14/h3-8H2,1-2H3,(H,17,18)
InChIKeyXTOSTSDMHFQZEJ-UHFFFAOYSA-N
XLogP-0.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 64693700) is 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CN1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1=O.
What is the InChIKey of 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XTOSTSDMHFQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(10(17)18)4-3-5-15(12)11(19)14-7-6-13(2)9(16)8-14/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64693700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).