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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Related Compounds

2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 114538735
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
CID 104597977
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 114679570
1-methyl-4-(pyrrolidine-1-carbonyl)-1,4-diazepan-2-one
CID 102847763
1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one
CID 64681617
(2S)-1-methoxycarbonyl-2-methylpyrrolidine-2-carboxylic acid
CID 67496277
1-(2,2-dimethylmorpholine-4-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597949
2-[1-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 64679856
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944

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).