1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C13H23N3O3 — CID 102781678

IUPAC1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCC(C)C2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-3-14-6-8-15(9-7-14)13(19)16-5-4-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyDSDDYJDIFFNFGB-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.54
Rot. Bonds2

About 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781678) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781678
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN1CCN(C(=O)N2CCC(C)C2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-3-14-6-8-15(9-7-14)13(19)16-5-4-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyDSDDYJDIFFNFGB-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291
3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 102781941
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
(3S,4S)-1-(4-ethylpiperazine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085861
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071356
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102781678) is 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CCN1CCN(C(=O)N2CCC(C)C2C(=O)O)CC1.
What is the InChIKey of 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DSDDYJDIFFNFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-14-6-8-15(9-7-14)13(19)16-5-4-10(2)11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazine-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).