1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid

C16H28N2O3 — CID 83064696

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(15(20)21)6-5-7-18(16)11-14(19)17-9-12(2)8-13(3)10-17/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyDRDZZQXTLUKGBM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 83064696) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID83064696
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(15(20)21)6-5-7-18(16)11-14(19)17-9-12(2)8-13(3)10-17/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyDRDZZQXTLUKGBM-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979055
2-ethyl-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 83064867
1-(1-adamantylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83064694
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid
CID 83070563
2-ethyl-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 83080106
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
1-(3,5-dimethylpiperidin-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916112
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080184
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 83064696) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is DRDZZQXTLUKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-16(15(20)21)6-5-7-18(16)11-14(19)17-9-12(2)8-13(3)10-17/h12-13H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83064696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).